5V5J
oxyferrous Dehaloperoxidase B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-09 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.581, 67.018, 68.448 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.290 - 1.814 |
| R-factor | 0.1683 |
| Rwork | 0.166 |
| R-free | 0.19470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ixf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.866 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.859 |
| High resolution limit [Å] | 1.814 | 1.814 |
| Rmerge | 0.071 | 0.623 |
| Number of reflections | 24707 | 1176 |
| <I/σ(I)> | 21.5 | |
| Completeness [%] | 98.9 | 96.4 |
| Redundancy | 6.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | PEG4000, ammonium sulfate, cacodylate buffer |
