6LOX
Crystal Structure of human glutaminase with macrocyclic inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-10-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.974, 138.673, 177.669 |
| Unit cell angles | 90.00, 94.16, 90.00 |
Refinement procedure
| Resolution | 47.140 - 3.200 |
| R-factor | 0.2238 |
| Rwork | 0.222 |
| R-free | 0.26030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uo9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.529 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.140 | 47.100 | 3.330 |
| High resolution limit [Å] | 3.200 | 11.540 | 3.200 |
| Rmerge | 0.150 | 0.033 | 0.591 |
| Rmeas | 0.175 | 0.039 | 0.682 |
| Rpim | 0.088 | 0.019 | 0.335 |
| Total number of observations | 3205 | 18046 | |
| Number of reflections | 39470 | 853 | 4526 |
| <I/σ(I)> | 8.2 | 27.9 | 2.4 |
| Completeness [%] | 98.9 | 94.9 | 99.4 |
| Redundancy | 3.8 | 3.8 | 4 |
| CC(1/2) | 0.991 | 0.998 | 0.894 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 8.7 | 289 | PEG 6000 |
