4C9N
Structure of camphor and hydroxycamphor bound D259N mutant of CYP101D1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-06-02 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 151.506, 151.506, 196.391 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.531 - 2.200 |
R-factor | 0.1778 |
Rwork | 0.177 |
R-free | 0.20820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lxi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.153 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.590 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.130 | 0.680 |
Number of reflections | 67852 | |
<I/σ(I)> | 14 | 3.4 |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.5 | 14.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.2 | 100 MM TRIS PH 8.2, 1.6M AMMONIUM SULPHATE |