6OO6
Dehaloperoxidase B in complex with substrate p-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 | 2019-02-21 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.505, 67.540, 67.625 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.090 - 2.100 |
R-factor | 0.16311 |
Rwork | 0.160 |
R-free | 0.22432 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.521 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.090 | 2.152 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.100 | 0.164 |
Rpim | 0.035 | 0.055 |
Number of reflections | 15319 | 1100 |
<I/σ(I)> | 16.6 | 11.9 |
Completeness [%] | 95.5 | 96.51 |
Redundancy | 8.4 | 8.6 |
CC(1/2) | 0.996 | 0.992 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | MPEG 2000, ammonium sulphate, sodium cacodylate |