7KFM
Room temperature oxyferrous Dehaloperoxidase B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-08-24 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.976, 66.883, 69.156 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.753 - 1.750 |
| R-factor | 0.1668 |
| Rwork | 0.165 |
| R-free | 0.19390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ixf |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.882 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.055 | 0.509 |
| Number of reflections | 28964 | 1451 |
| <I/σ(I)> | 34.9 | 2.9 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 3.9 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.4 | 277 | MPEG 2000, 200 mM ammonium sulfate, cacodylate buffer |
