5UGH
Crystal structure of Mat2a bound to the allosteric inhibitor PF-02929366
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.731, 109.100, 149.012 |
Unit cell angles | 90.00, 100.04, 90.00 |
Refinement procedure
Resolution | 38.136 - 2.062 |
R-factor | 0.1774 |
Rwork | 0.176 |
R-free | 0.20320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p02 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.798 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.140 | 2.135 |
High resolution limit [Å] | 2.062 | 2.062 |
Rmerge | 0.033 | 0.305 |
Number of reflections | 96483 | |
<I/σ(I)> | 13.92 | 2.22 |
Completeness [%] | 99.7 | 99.94 |
Redundancy | 1.9 | 2 |
CC(1/2) | 0.999 | 0.903 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 294 | 4% v/v Tacsimate pH 6.0, 12% w/v Polyethylene glycol 3,350 |