6WGW
CYP101D1 D259E Hydroxycamphor bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2018-11-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 152.426, 152.426, 196.400 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.360 - 1.730 |
R-factor | 0.1893 |
Rwork | 0.189 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4c9k |
RMSD bond length | 0.007 |
RMSD bond angle | 0.971 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.360 | 1.792 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 278914 | 13748 |
<I/σ(I)> | 19.46 | |
Completeness [%] | 100.0 | |
Redundancy | 2 | |
CC(1/2) | 0.999 | 0.453 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 298 | 1.6 M ammonium sulfate; 0.1 M Tris |