6I7F
Dehaloperoxidase B from Amphitrite ornata - complex with 2,4-dichlorophenol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SACLA BEAMLINE BL2 |
| Synchrotron site | SACLA |
| Beamline | BL2 |
| Temperature [K] | 301 |
| Detector technology | CCD |
| Collection date | 2017-10-11 |
| Detector | MPCCD |
| Wavelength(s) | 1.24 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.940, 67.150, 68.720 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.360 - 1.850 |
| R-factor | 0.1693 |
| Rwork | 0.168 |
| R-free | 0.19910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ixf |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.700 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 24749 | |
| <I/σ(I)> | 10.4 | 1.64 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 579 | 340 |
| CC(1/2) | 0.990 | 0.660 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6 | 277 | 5.5 mg/ml DHP-B in 20 mM MES pH 6.0 mixed with 35% PEG 4000, 200 mM AmSO4 at a ratio of 1:4 in a total volume of 250 microlitres |
