3IXF
Crystal Structure of Dehaloperoxidase B at 1.58 and Structural Characterization of the AB Dimer 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 | 2009-05-07 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.650, 67.416, 67.484 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.170 - 1.580 |
| R-factor | 0.16917 |
| Rwork | 0.167 |
| R-free | 0.20898 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDN entry 2QFK |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.130 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.170 | 1.621 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.094 | 0.521 |
| Number of reflections | 36546 | |
| <I/σ(I)> | 21.9 | 2.48 |
| Completeness [%] | 99.7 | 99.89 |
| Redundancy | 3.7 | 3.8 |
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 |
