5AH3
Crystal structure of the Mep2 mutant R452D,S453D from Candida albicans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-02 |
| Detector | DEXTRIS |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 112.678, 112.678, 251.146 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.791 - 2.400 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.20000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5aez |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.058 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.180 | 0.990 |
| Number of reflections | 37790 | |
| <I/σ(I)> | 7.6 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.8 | 9.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5 | 0.1 M SODIUM ACETATE 15-20% PEG400 |
