Table 1. X-ray crystallographic statistics for TcruCA.
Values in parentheses are for the highest resolution shell.
| PDB code | 4xz5 |
| Space group | C2 |
| Unit-cell parameters (, ) | a = 127.1, b = 102.2, c = 105.0, = 127.3 |
| Resolution () | 20.02.60 (2.692.60) |
| Total reflections | 120808 |
| Unique reflections | 32859 |
| R merge † (%) | 10.0 (40.5) |
| CC1/2 | 0.95 (0.85) |
| I/(I) | 9.2 (2.5) |
| Multiplicity | 3.7 (3.5) |
| Completeness (%) | 99.8 (99.1) |
| R cryst ‡ (%) | 17.1 (21.5) |
| R free § (%) | 24.0 (30.6) |
| V M (3Da1) | 2.04 |
| Residue Nos. | 75304 |
| No. of protein atoms | 7251 [all chains] |
| No. of water molecules | 37 |
| No. of Zn atoms | 4 |
| No. of bicarbonate molecules | 4 |
| Ramachandran statistics (%) | |
| Favored | 97.7 |
| Allowed | 1.86 |
| Generously allowed | 0.44 |
| Average B factors (2) | |
| Main chain | 32.6 |
| Side chain | 37.6 |
| Water | 24.3 |
| Bicarbonate | 30.0 |
| R.m.s.d. | |
| Bond lengths () | 0.009 |
| Angles () | 1.3 |
†
R
merge = 
100.
‡
R
cryst = 
100.
§
R free is calculated in the same way as R cryst except for using data omitted from refinement (5% of reflections for all data sets).