6RO8
The crystal structure of Acinetobacter radioresistens CYP116B5 heme domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-07 |
Detector | DECTRIS PILATUS3 X 2M |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 109.900, 109.900, 164.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.330 - 2.600 |
Rwork | 0.200 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gii |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.900 | 2.720 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.084 | |
Number of reflections | 31654 | 3788 |
<I/σ(I)> | 19.9 | 1.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.5 | 12.1 |
CC(1/2) | 1.000 | 0.584 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 100 mM amino acids (0.02 M DL-Arginine hydrochloride, 0.02M DL-Threonine, 0.02M DL-Histidine monohydrochloride monohydrate, 0.02M DL-5-Hydroxylysine hydrochloride, 0.02M trans-4-hydroxy-L-proline), 0.1 M Gly-Gly, AMPD buffer pH 8.5, 50% v/v of 25% w/v PEG 4000, 40% w/v 1,2,6- Hexanetriol |