4BXV
Three-dimensional structure of the mutant K109A of Paracoccus pantotrophus pseudoazurin at pH 7.0
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 1 21 1 |
| Unit cell lengths | 41.310, 71.720, 91.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.247 - 1.760 |
| R-factor | 0.2782 |
| Rwork | 0.275 |
| R-free | 0.31690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erx |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.218 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.250 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.080 | 0.020 |
| Number of reflections | 52635 | |
| <I/σ(I)> | 3.6 | 5.6 |
| Completeness [%] | 99.2 | 96.8 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 3.0-3.2 M AMMONIUM SULFATE, 50 MM POTASSIUM PHOSPHATE PH 7.0 |
