8VZR
Crystal structure of dehaloperoxidase A in complex with substrate 4-bromo-o-cresol
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 | 2022-11-03 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 58.404, 67.756, 68.169 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.136 - 1.640 |
Rwork | 0.156 |
R-free | 0.20440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qfk |
RMSD bond length | 0.010 |
RMSD bond angle | 1.649 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 37.140 | 1.682 |
High resolution limit [Å] | 1.640 | 1.640 |
Number of reflections | 33787 | 2361 |
<I/σ(I)> | 30.8 | |
Completeness [%] | 99.8 | |
Redundancy | 9.3 | |
CC(1/2) | 0.987 | 0.712 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | MPEG2000, ammonium sulfate, sodium cacodylate |