8PAW
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 | 75.447, 105.627, 110.563 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.980 - 2.140 |
R-factor | 0.19591 |
Rwork | 0.195 |
R-free | 0.22581 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.602 |
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] | 48.980 | 2.270 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmeas | 0.106 | 0.761 |
Number of reflections | 49164 | 7474 |
<I/σ(I)> | 14.81 | 2.32 |
Completeness [%] | 99.1 | 94.6 |
Redundancy | 7.2 | 6.8 |
CC(1/2) | 0.998 | 0.813 |
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 |