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Table 3 Crystallographic data for Bacillus subtilis FtsZ structures.

From: Combined protein construct and synthetic gene engineering for heterologous protein expression and crystallization using Gene Composer

Data Collection 2RHH 2RHJ 2RHL 2RHO
Unit Cell a, b, c (Å) 66.37, 66.37 152.09 74.14, 82.06, 117.51 82.29, 97.58, 135.45 82.30, 97.16, 134.72
Space group P41212 C2221 P212121 P212121
Resolution (Å) range/highest resolution shell 50-2.0/(2.07-2.0) 50-1.76/(1.82-1.76) 30-2.45/(2.54-2.45) 50-2.45/(2.54-2.45)
Wavelength (Å) 0.97934 0.97934 0.97934 0.97934
Observed Reflections 267,428 236,328 262,233 228,703
Unique Reflections 23,413 34,949 41,246 40,114
Average I/(sigI)a 19.8 (1.4) 27.4 (2.1) 29.0 (2.6) 24.7 (2.0)
Rsym (%)a,c 8.7 (44.9) 7.1 (64.2) 6.9 (47.6) 5.0 (56.8)
Completeness (%)a 98.3 (88.6) 98.0 (88.8) 99.2 (98.2) 98.1 (94.9)
Redundancya 11.4 (6.0) 6.8 (4.6) 6.4 (5.5) 5.7 (4.7)
Refinement     
Resolution (Å) 50 - 2.0 50 – 1.76 30 - 2.45 50 - 2.45
Reflections (working/test) 22,153/1,194 33,173/1,752 38,318/2,039 37,673/2,005
Rcryst/Rfree (%)d 21.2/25.7 18.0/20.8 22.7/27.0 22.7/27.0
Number of atoms (protein/ligand/water) 2191/5/114 2279/64/172 2199, 2290b/
28/97
2199, 2178b/32, 28/99
r.m.s.d. bond lengths (Å) 0.019 0.017 0.015 0.014
r.m.s.d. bond angles (°) 1.580 1.520 1.521 1.508
Average B factor all (Å2) 34.2 27.3 67.8 54.8
Average B factor protein (Å2) 36.8 25.7 68.0/67.8b 55.2/54.7b
Average B factor ligand (Å2) 31.7 43.6 59.1/53.4b 44.4/43.1b
Average B factor water (Å2) 37.1 39.5 67.7 52.4
Coordinate Error (Å)e 0.170 0.104 0.235 0.235
Ramachandran Analysis (%)     
Most Favored 95.8 96.6 94.8/95.4b 96.5/96.1b
Additionally Allowed 4.2 3.4 5.2/4.6b 3.5/3.5b
  1. aValues in parenthesis are for the highest resolution shells.
  2. bValues for chains A and B respectively when applicable.
  3. cRsym = (ΣhklΣi|Ii(hkl) - <I(hkl)>|/ΣhklΣi Ii(hkl), Ii(hkl) is the intensity measured for the ithreflection and <I(hkl)> is the mean intensity of reflections with indices hkl.
  4. d Rcryst = (Σhkl || Fobs(hkl)| - |Fcalc(hkl)||)/Σhkl| Fobs(hkl)|; Rfree is calculated in an identical manner using 5% of randomly selected reflections.
  5. eEstimated standard uncertainty based on Rfree.