2IWE
Structure of a cavity mutant (H117G) of Pseudomonas aeruginosa azurin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR78 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-03-09 |
| Detector | MAR scanner 345 mm plate |
| Spacegroup name | P 1 |
| Unit cell lengths | 42.664, 49.718, 66.065 |
| Unit cell angles | 109.25, 94.96, 99.24 |
Refinement procedure
| Resolution | 61.660 - 2.830 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e67 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.070 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.000 | 2.950 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.090 | 0.340 |
| Number of reflections | 10566 | |
| <I/σ(I)> | 9.4 | 1.8 |
| Completeness [%] | 88.2 | 36 |
| Redundancy | 2.7 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 100 MM TRIS-HCL PH 8.5 AND 20% (W/V) POLYETHYLENE GLYCOL (PEG) 8000 |
