3U25
Crystal structure of P. aeruginoas azurin containing a Tyr-His hydrogen bonded pair
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-03-11 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.026, 56.330, 82.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.180 |
| R-factor | 0.19621 |
| Rwork | 0.195 |
| R-free | 0.21748 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4azu |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.336 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.182 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.050 | 0.271 |
| Number of reflections | 70523 | |
| <I/σ(I)> | 3.72 | 3.72 |
| Completeness [%] | 94.9 | 84.9 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 25-30% of poly(ethylene glycol) (PEG) 4000, 100 mM lithium nitrate, 10 mM copper sulfate and 100 mM Tris HCl, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
