8PAV
Crystal structure of MST1 with a MAP4K1 SMOL inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-10 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.310, 104.966, 110.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.780 - 1.900 |
| R-factor | 0.17717 |
| Rwork | 0.176 |
| R-free | 0.21238 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.551 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.780 | 2.010 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.051 | 0.523 |
| Number of reflections | 66175 | 7973 |
| <I/σ(I)> | 23.89 | 2.5 |
| Completeness [%] | 94.5 | 71.4 |
| Redundancy | 6.5 | 3.9 |
| CC(1/2) | 1.000 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 1.4 M NH4SO4, 0.3 M LiSO4, 0.1 M CAPS pH 9.8 |
