8A66
Crystal structure of MST2 in complex with XMU-MP-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-01-25 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98012 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 90.770, 99.040, 167.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.920 - 1.901 |
| R-factor | 0.2202 |
| Rwork | 0.218 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.040 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.8) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.644 | 2.104 |
| High resolution limit [Å] | 1.852 | 1.852 |
| Rmerge | 1.402 | |
| Number of reflections | 32603 | 1630 |
| <I/σ(I)> | 14.8 | |
| Completeness [%] | 92.6 | |
| Redundancy | 13.3 | |
| CC(1/2) | 0.998 | 0.605 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Ammonium citrate pH 7.0 and 18% PEG3350 |
