2UXF
Pseudoazurin with engineered amicyanin ligand loop, oxidized form, pH 5.5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-12-15 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 105.572, 105.572, 57.286 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.166 |
| Rwork | 0.164 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bqk |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.541 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.060 | 0.190 |
| Number of reflections | 8274 | |
| <I/σ(I)> | 23.3 | 6.3 |
| Completeness [%] | 98.6 | 94.4 |
| Redundancy | 4.2 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | HANGING DROP VAPOR DIFFUSION METHOD, 1 MICRO-L PROTEIN (20 MG/ML IN 100 MM MES, PH 5.5 PLUS 30 MM NACL) MIXED WITH 1 MICRO-L OF RESERVOIR SOLUTION (100 MM MES, PH 5.5 PLUS 2 M AMMONIUM SULFATE AND 2 M NACL) |
