4BWU
Three-dimensional structure of the K109A mutant of Paracoccus pantotrophus pseudoazurin at pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 49.850, 66.170, 68.630 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.820 - 1.760 |
| R-factor | 0.15185 |
| Rwork | 0.149 |
| R-free | 0.20743 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erx |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.070 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 23180 | |
| <I/σ(I)> | 23.3 | 6.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.9 | 12.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 3.0 - 3.2 M AMMONIUM SULPHATE, 50 MM POTASSIUM PHOSPHATE AT PH 5.5 |
