3K3U
The V59W mutation blocks the distal pocket of the hemoglobin dehaloperoxidase from Amphitrite ornata
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-03-26 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.766, 67.321, 69.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.290 - 1.630 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20117 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.204 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.291 | 1.674 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.064 | 0.171 |
| Number of reflections | 33923 | |
| <I/σ(I)> | 12.1 | 11.2 |
| Completeness [%] | 99.4 | 98.56 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 277 | 0.2 M ammonium sulfate, 32% PEG 4000 , pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
