6YX3
Crystal structure of SAICAR Synthetase (PurC) from Mycobacterium abscessus in complex with ATP
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 | 47.758, 64.114, 49.013 |
| Unit cell angles | 90.00, 111.48, 90.00 |
Refinement procedure
| Resolution | 37.165 - 1.220 |
| R-factor | 0.1623 |
| Rwork | 0.161 |
| R-free | 0.17920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6yvq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.114 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.1) |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9-1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.610 | 45.610 | 1.290 |
| High resolution limit [Å] | 1.220 | 3.660 | 1.220 |
| Rmerge | 0.044 | 0.033 | 0.342 |
| Rmeas | 0.049 | 0.037 | 0.424 |
| Rpim | 0.021 | 0.016 | 0.247 |
| Total number of observations | 302987 | 15192 | 6195 |
| Number of reflections | 62449 | 2995 | 2341 |
| <I/σ(I)> | 23.1 | 42.6 | 3.3 |
| Completeness [%] | 76.4 | 96.9 | 17.8 |
| Redundancy | 4.9 | 5.1 | 2.6 |
| CC(1/2) | 0.999 | 0.997 | 0.808 |
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, 25 % PEG 3350 |
