4BWT
Three-dimensional structure of Paracoccus pantotrophus pseudoazurin at pH 6.5
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 | C 1 2 1 |
| Unit cell lengths | 107.280, 57.870, 67.100 |
| Unit cell angles | 90.00, 125.99, 90.00 |
Refinement procedure
| Resolution | 27.850 - 1.760 |
| R-factor | 0.16801 |
| Rwork | 0.166 |
| R-free | 0.20631 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3erx |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.155 |
| 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] | 27.850 | 1.800 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Rmerge | 0.060 | 0.160 |
| Number of reflections | 32561 | |
| <I/σ(I)> | 11.8 | 5.1 |
| Completeness [%] | 98.5 | 97.4 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 3.0 - 3.2 M AMMONIUM SULPHATE, 50 MM POTASSIUM PHOSPHATE PH 6.5 |
