6ONZ
Dehaloperoxidase B in complex with substtrate 4-nitro-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 | 58.600, 67.730, 67.910 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.110 - 1.800 |
| R-factor | 0.1833 |
| Rwork | 0.181 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.829 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.110 | 1.847 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmeas | 0.091 | 0.581 |
| Rpim | 0.052 | 0.294 |
| Number of reflections | 23857 | 1665 |
| <I/σ(I)> | 3.9 | 2.3 |
| Completeness [%] | 97.8 | 93.42 |
| Redundancy | 5.4 | 3.2 |
| CC(1/2) | 0.916 | 0.798 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | MPEG 2000, ammonium sulphate, sodium cacodylate |
