3NYS
X-ray structure of the K185A mutant of WbpE (WlbE) from pseudomonas aeruginosa in complex with PLP at 1.45 angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-22 |
| Detector | Bruker Platinum 135 |
| Wavelength(s) | 1.54178 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 56.783, 93.570, 77.067 |
| Unit cell angles | 90.00, 115.58, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.450 |
| R-factor | 0.17161 |
| Rwork | 0.170 |
| R-free | 0.20085 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3frk |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.003 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.061 | 0.320 |
| Number of reflections | 62362 | |
| <I/σ(I)> | 12.9 | 2.7 |
| Completeness [%] | 97.2 | 92.9 |
| Redundancy | 5 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 25% pentaerythritrol propoxylate, 100 mM MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
