6YY7
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.682, 64.753, 48.013 |
| Unit cell angles | 90.00, 110.68, 90.00 |
Refinement procedure
| Resolution | 44.919 - 1.350 |
| R-factor | 0.1594 |
| Rwork | 0.158 |
| R-free | 0.18560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yvq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.024 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.920 | 44.920 | 1.420 |
| High resolution limit [Å] | 1.347 | 4.260 | 1.350 |
| Rmerge | 0.051 | 0.034 | 0.502 |
| Rmeas | 0.056 | 0.037 | 0.568 |
| Rpim | 0.023 | 0.015 | 0.260 |
| Total number of observations | 11698 | 41037 | |
| Number of reflections | 60426 | 1976 | 8796 |
| <I/σ(I)> | 15.9 | 45.5 | 2.5 |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 5.7 | 5.9 | 4.7 |
| CC(1/2) | 0.999 | 0.998 | 0.887 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M LiSO4, 0.1 M Bis-Tris pH 6.0 , 23% PEG 3350 |
