4EXA
Crystal structure of the PA4992, the putative aldo-keto reductase from Pseudomona aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-17 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.170, 120.277, 151.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 94.110 - 2.800 |
| R-factor | 0.22949 |
| Rwork | 0.227 |
| R-free | 0.27237 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ynp |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.345 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 94.110 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.129 | 0.493 |
| Number of reflections | 41558 | |
| <I/σ(I)> | 8.9 | 2.7 |
| Completeness [%] | 97.2 | 98.2 |
| Redundancy | 4.1 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 10mM NADP+ 25.5% of polyacrylic acid 0.1M Hepes, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
