2X4G
Crystal structure of PA4631, a nucleoside-diphosphate-sugar epimerase from Pseudomonas aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-21 |
| Detector | ADSC CCD |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 83.380, 83.380, 215.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.700 - 2.650 |
| R-factor | 0.21346 |
| Rwork | 0.211 |
| R-free | 0.25314 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.332 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXCDE (SOLVE RESOLVE) |
| Refinement software | REFMAC (5.5.0070) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.700 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.080 | 0.660 |
| Number of reflections | 12600 | |
| <I/σ(I)> | 23.3 | 2.75 |
| Completeness [%] | 97.0 | 90 |
| Redundancy | 5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 2.55M NACL, 0.1M HEPES PH 8 OR 2.9M NACL, 0.1M BICINE PH 8.5 AT A PROTEIN CONCENTRATION OF 2 MG ML-1.CRYSTALS WERE CRYOPROTECTED DIRECTLY IN THIS SOLUTION SUPPLEMENTED WITH 18% GLYCEROL. CRYSTAL WAS SOAKED IN 20MM TRIMETHYLLEADCHLORIDE FOR APPROXIMATELY 5 MINUTES BEFORE BEING BACK SOAKED IN CRYO BUFFER |
