7ADQ
Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata
Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-ID-B |
Synchrotron site | APS |
Beamline | 14-ID-B |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2017-04-19 |
Detector | RAYONIX MX340-HS |
Wavelength(s) | 0.815-0.863 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.800, 67.300, 67.500 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.660 - 2.010 |
R-factor | 0.165 |
Rwork | 0.162 |
R-free | 0.21520 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ixf |
Data reduction software | Precognition |
Phasing software | REFMAC |
Refinement software | PHENIX (v1.1.18) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.700 | 2.090 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.072 | |
Number of reflections | 12928 | 513 |
<I/σ(I)> | 34.1 | |
Completeness [%] | 67.8 | 22 |
Redundancy | 7.6 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6 | 277 | 30 mg per ml DHP mixed with 200 mM ammonium sulfate 40 percent PEG 4000, in a 1 to 4 ratio in a total volume of 250 to 500 microlitres |