Table 1. Data-collection and refinement statistics for BGLPf.
Values in parentheses are for the highest resolution shell.
| Data collection | |
| X-ray source | BL41XU, SPring-8 |
| Space group | P43212 |
| Unit-cell parameters () | a = b = 141.96, c = 343.01 |
| Wavelength () | 0.9000 |
| Resolution range () | 50.002.35 (2.432.35) |
| No. of observed reflections | 1079285 |
| No. of unique reflections | 145450 |
| Completeness (%) | 97.9 (90.9) |
| I/(I) | 17.0 (2.6) |
| R merge † | 0.092 (0.326) |
| Multiplicity | 7.6 (3.0) |
| Refinement | |
| No. of protein atoms | 15448 |
| No. of water molecules | 358 |
| No. of glycerol molecules | 5 |
| R factor‡ | 0.177 |
| R free § | 0.223 |
| R.m.s.d. from ideal values | |
| Bond lengths () | 0.022 |
| Bond angles () | 1.935 |
| B factor (Wilson plot) (2) | 23.82 |
| Average B factor (2) | |
| Protein | 23.82 |
| Water | 22.71 |
| Glycerol | 35.71 |
| Ramachandran plot (%) | |
| Favoured | 96.7 |
| Allowed | 99.6 |
| PDB code | 3apg |
†
R
merge = 
, where Ii(hkl) are the individual intensities of the ith observation of reflection hkl and I(hkl) is the average intensity ofreflection hkl with summation over all data.
‡
R factor = 
, where F
obs and F
calc are the observed and calculated structure factors, respectively.
§
R free is equivalent to the R factor but is calculated for 5% of the reflections chosen at random and omitted from the refinement process.