3FS9
Pseudomonas aeruginosa Azurin with mutated metal-binding loop sequence (CAAHAAM)
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 | 39.774, 46.155, 58.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.130 - 1.050 |
| R-factor | 0.12145 |
| Rwork | 0.120 |
| R-free | 0.14528 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ft6 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.874 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.000 | 1.110 |
| High resolution limit [Å] | 1.050 | 1.050 |
| Rmerge | 0.056 | 0.239 |
| Number of reflections | 50521 | |
| <I/σ(I)> | 24.5 | 9.1 |
| Completeness [%] | 99.5 | 99 |
| Redundancy | 10.5 | 8.7 |
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 |
