6IAV
CO-AZURIN FROM PSEUDOMONAS AERUGINOSA TREATED WITH HYDROSULFIDE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-07-02 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.6039 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.429, 59.950, 82.520 |
| Unit cell angles | 90.00, 90.43, 90.00 |
Refinement procedure
| Resolution | 50.480 - 2.000 |
| R-factor | 0.25264 |
| Rwork | 0.250 |
| R-free | 0.30955 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gyi |
| RMSD bond length | 0.025 |
| RMSD bond angle | 2.737 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.480 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 31819 | 2242 |
| <I/σ(I)> | 6.9 | 2.2 |
| Completeness [%] | 95.3 | 92.7 |
| Redundancy | 2.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 30% PEG 4000, 100 MM TRIS PH 7.5, 200 MM CACL2, 10 MM NA2S. CRYOPROTECTANT: 10% PEG 4000, 20% PEG 400, 100 MM TRIS PH 7.5, 200 MM CACL2, PH 7.5 |
