5NCB
Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with guaiacol.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-12 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 104.080, 104.080, 115.754 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 77.390 - 1.440 |
R-factor | 0.12892 |
Rwork | 0.128 |
R-free | 0.15141 |
Structure solution method | SAD |
RMSD bond length | 0.015 |
RMSD bond angle | 1.710 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | CRANK2 |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 115.750 | 1.460 |
High resolution limit [Å] | 1.440 | 1.440 |
Rmerge | 0.073 | 0.931 |
Rpim | 0.024 | 0.333 |
Number of reflections | 114601 | 5611 |
<I/σ(I)> | 21 | 2.1 |
Completeness [%] | 99.7 | 99.6 |
Redundancy | 10.2 | 8.6 |
CC(1/2) | 0.998 | 0.794 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 279 | Sodium malonate, HEPES, guaiacol. |