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 |