3ERX
High-resolution structure of Paracoccus pantotrophus pseudoazurin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-03-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.823, 56.993, 67.982 |
| Unit cell angles | 90.00, 126.22, 90.00 |
Refinement procedure
| Resolution | 54.880 - 1.250 |
| R-factor | 0.1892 |
| Rwork | 0.188 |
| R-free | 0.20584 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1adw |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.198 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.880 | 1.320 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Rmerge | 0.056 | 0.280 |
| Number of reflections | 73293 | |
| <I/σ(I)> | 16.3 | 2.2 |
| Completeness [%] | 79.2 | 31.2 |
| Redundancy | 3.3 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 3.0 M ammonium sulphate and 50 mM potassium phosphate at pH 7.0,, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
