6GYI
Azurin fom 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) | 0.81410 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.736, 59.781, 79.727 |
| Unit cell angles | 90.00, 90.38, 90.00 |
Refinement procedure
| Resolution | 47.830 - 1.600 |
| R-factor | 0.1933 |
| Rwork | 0.192 |
| R-free | 0.24273 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1azu |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.729 |
| Data reduction software | XDS (Nov 1, 2016) |
| Data scaling software | XDS (Nov 1, 2016) |
| Phasing software | PHASER (2.7.17) |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.690 |
| High resolution limit [Å] | 1.590 | 1.590 |
| Rmerge | 0.033 | 1.015 |
| Rmeas | 0.046 | 1.099 |
| Number of reflections | 62899 | 9844 |
| <I/σ(I)> | 10.8 | 1.46 |
| Completeness [%] | 98.8 | 96 |
| Redundancy | 6.7 | 6.7 |
| CC(1/2) | 0.998 | 0.646 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% PEG 4000, 100 mM NaHEPES pH 6,5, 200 mM CaCl2, 10 mM Na2S. Cryoprotectant: 10% PEG 4000, 20% PEG 400, 100 mM NaHEPES pH 6,5, 200 mM CaCl2 |
