7B36
MST4 in complex with compound G-5555
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 | P 1 21 1 |
| Unit cell lengths | 63.749, 53.186, 93.518 |
| Unit cell angles | 90.00, 96.36, 90.00 |
Refinement procedure
| Resolution | 46.472 - 2.107 |
| R-factor | 0.203059982941 |
| Rwork | 0.201 |
| R-free | 0.24449 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zhp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.852 |
| 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] | 46.480 | 2.170 |
| High resolution limit [Å] | 2.100 | 2.110 |
| Rpim | 0.029 | 0.348 |
| Number of reflections | 35855 | 2756 |
| <I/σ(I)> | 13.3 | 2.1 |
| Completeness [%] | 98.7 | 94 |
| Redundancy | 5 | 4.5 |
| CC(1/2) | 0.999 | 0.886 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | solution: protein 12 mg/ml in buffer 25mM HEPES pH 7.5, 200 mM NaCl, 0.5mM TCEP, 5% glycerol reservoir: 28% PEG6000, 0.1M HEPES pH 7.5 |
