6Z0R
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with fragment 1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-10-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.493, 64.729, 48.238 |
| Unit cell angles | 90.00, 110.88, 90.00 |
Refinement procedure
| Resolution | 45.070 - 1.308 |
| R-factor | 0.1808 |
| Rwork | 0.180 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yvq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.035 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.070 | 45.070 | 1.380 |
| High resolution limit [Å] | 1.308 | 4.140 | 1.310 |
| Rmerge | 0.054 | 0.042 | 0.475 |
| Rmeas | 0.059 | 0.045 | 0.549 |
| Rpim | 0.023 | 0.018 | 0.269 |
| Total number of observations | 13147 | 23573 | |
| Number of reflections | 60958 | 2151 | 6159 |
| <I/σ(I)> | 15.6 | 38.1 | 2.3 |
| Completeness [%] | 92.7 | 99.6 | 64.9 |
| Redundancy | 5.9 | 6.1 | 3.8 |
| CC(1/2) | 0.999 | 0.998 | 0.824 |
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, 20 % PEG 3350 |
