7B31
MST3 in complex with compound MRIA9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-07 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.00004 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 99.429, 59.068, 61.728 |
| Unit cell angles | 90.00, 93.52, 90.00 |
Refinement procedure
| Resolution | 39.860 - 1.800 |
| R-factor | 0.1785 |
| Rwork | 0.177 |
| R-free | 0.21210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zhp |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.814 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.860 | 1.840 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rpim | 0.352 | |
| Number of reflections | 33013 | 1926 |
| <I/σ(I)> | 16.7 | 2.2 |
| Completeness [%] | 99.4 | 99.6 |
| Redundancy | 6.1 | 6.3 |
| CC(1/2) | 0.999 | 0.742 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | Protein solution: 10 mg/ml in buffer 25 mM HEPES pH 7.5, 200 mM NaCl, 5% glycerol, 0.5 mM TCEP. Reservoir: 16% PEG 6000, 0.1M HEPES pH 7.0. |
