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 |
