6Z0Q
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 2
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 | 2017-03-17 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.247, 65.201, 49.051 |
| Unit cell angles | 90.00, 110.73, 90.00 |
Refinement procedure
| Resolution | 45.875 - 1.535 |
| R-factor | 0.1891 |
| Rwork | 0.187 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yvq |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.029 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 65.200 | 65.200 | 1.620 |
| High resolution limit [Å] | 1.535 | 4.860 | 1.540 |
| Rmerge | 0.051 | 0.028 | 0.565 |
| Rmeas | 0.060 | 0.034 | 0.663 |
| Rpim | 0.032 | 0.018 | 0.346 |
| Total number of observations | 4388 | 21391 | |
| Number of reflections | 41377 | 1356 | 5958 |
| <I/σ(I)> | 13.7 | 39.2 | 2.3 |
| Completeness [%] | 97.6 | 97.3 | 96.6 |
| Redundancy | 3.4 | 3.2 | 3.6 |
| CC(1/2) | 0.998 | 0.998 | 0.821 |
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, 22 % PEG 3350 |
