3EF4
Crystal structure of native pseudoazurin from Hyphomicrobium denitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-13 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.690, 50.623, 82.378 |
| Unit cell angles | 90.00, 90.98, 90.00 |
Refinement procedure
| Resolution | 44.950 - 1.180 |
| R-factor | 0.135 |
| Rwork | 0.135 |
| R-free | 0.16900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1adw |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.033 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP (REFMAC SHELX) |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.200 | 1.220 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmerge | 0.041 | 0.490 |
| Number of reflections | 132934 | |
| <I/σ(I)> | 43.59 | 2.78 |
| Completeness [%] | 95.8 | 85.2 |
| Redundancy | 3.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277 | 3.2M Ammonium Phosphate, 0.05M Potassium Phosphate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
