3FSA
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAHAAM); chemically reduced.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.135, 46.314, 58.096 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.020 - 0.980 |
| R-factor | 0.1207 |
| Rwork | 0.120 |
| R-free | 0.13453 |
| Structure solution method | Direct method |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.825 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.300 | 1.030 |
| High resolution limit [Å] | 0.980 | 0.980 |
| Rmerge | 0.056 | 0.142 |
| Number of reflections | 61635 | |
| <I/σ(I)> | 27.9 | 8.6 |
| Completeness [%] | 97.8 | 85.9 |
| Redundancy | 10.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.1M potassium thiocyanate, 30% PEG 2000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
