4EXB
Putative aldo-keto reductase from Pseudomona aeruginosa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-3 |
| Synchrotron site | MAX II |
| Beamline | I911-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.331, 119.036, 150.854 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.870 - 2.750 |
| R-factor | 0.24421 |
| Rwork | 0.243 |
| R-free | 0.27396 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ynp |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.261 |
| 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] | 42.100 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.103 | 0.630 |
| Number of reflections | 44634 | |
| <I/σ(I)> | 9.5 | 2 |
| Completeness [%] | 99.6 | 97.7 |
| Redundancy | 3.6 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.35 | 293 | 0.1M of bis-Tris-methane pH 6.35, 0.1 M sodium malonate and 16 % (w/v) PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
