5A3K
Chorismatase mechanisms reveal fundamentally different types of reaction in a single conserved protein fold
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-07-14 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.772, 127.214, 81.890 |
| Unit cell angles | 90.00, 104.85, 90.00 |
Refinement procedure
| Resolution | 44.266 - 2.753 |
| R-factor | 0.2515 |
| Rwork | 0.249 |
| R-free | 0.30190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ag3 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.723 |
| Data reduction software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.270 | 2.850 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.280 | |
| Number of reflections | 30925 | |
| <I/σ(I)> | 5.15 | 2.2 |
| Completeness [%] | 94.5 | 98.8 |
| Redundancy | 3.2 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | C327S HYG5 WAS CONCENTRATED TO 2MG/ML AND AFTERWARDS SUPPLEMENTED WITH 15 MM 3-HBA. C327S WAS CRYSTALLISED USING THE HANGING-DROP DIFFUSION METHOD IN 0.1 M MES PH6.5-7,0.2 M AMMONIUM SULPHATE,PH 6.5 |
