6YY9
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 I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-09-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.792, 64.761, 48.069 |
| Unit cell angles | 90.00, 110.64, 90.00 |
Refinement procedure
| Resolution | 44.725 - 1.413 |
| R-factor | 0.1692 |
| Rwork | 0.168 |
| R-free | 0.19000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yvq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.026 |
| 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] | 44.725 | 44.720 | 1.490 |
| High resolution limit [Å] | 1.410 | 4.470 | 1.410 |
| Rmerge | 0.113 | 0.138 | 0.499 |
| Rmeas | 0.119 | 0.145 | 0.533 |
| Rpim | 0.037 | 0.044 | 0.180 |
| Total number of observations | 17206 | 66170 | |
| Number of reflections | 52459 | 1714 | 7532 |
| <I/σ(I)> | 23.9 | 37.2 | 8.3 |
| Completeness [%] | 99.8 | 99.8 | 99 |
| Redundancy | 10.2 | 10 | 8.8 |
| CC(1/2) | 0.996 | 0.990 | 0.891 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M LiSO4, 0.1 M Bis-Tris pH 5.5, 21% PEG 3350 |
