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 |
