Table 1.
X-ray crystal data collection and refinement statistics
Structure | Human glutaminase C (Y466W) with l-Gln without phosphate (PDB: 7SBM) | Human glutaminase C (Y466W) with l-Gln plus phosphate (PDB: 7SBN) |
---|---|---|
Data collection | ||
Space group | P212121 | P1211 |
Cell dimensions | ||
a, b, c (Å) | 98.8, 139.1, 177.4 | 51.1, 140.1, 177.2 |
α, β, γ (°) | 90, 90, 90 | 90, 95.4, 90 |
Resolution (Å) | 2.8 | 2.1 |
Completeness (%) | 99.40 (98.52) | 98.46 (88.80) |
Redundancy | 6.3 (6.3) | 3.3 (2.8) |
Refinement | ||
Resolution (Å) | 37.9–2.8 | 47.8–2.1 |
No. of reflections | 60,927 (5953) | 133,794 (12,085) |
Rwork/Rfree | 0.1993/0.2435 | 0.1879/0.2301 |
Avg B-factors (Å2) | 38.04 | 40.33 |
Rmsd | ||
Bond lengths (Å) | 0.010 | 0.007 |
Bond angles (°) | 1.38 | 0.87 |
Values in parentheses are for highest-resolution shell.