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 |
