5WK7
P450cam mutant R186A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL14-1 |
Synchrotron site | SSRL |
Beamline | BL14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-07-28 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 1.127 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.820, 58.420, 57.250 |
Unit cell angles | 90.00, 104.97, 90.00 |
Refinement procedure
Resolution | 45.239 - 1.983 |
R-factor | 0.1674 |
Rwork | 0.163 |
R-free | 0.21530 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cpp |
RMSD bond length | 0.007 |
RMSD bond angle | 1.237 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.000 | 2.030 |
High resolution limit [Å] | 1.980 | 1.980 |
Rpim | 0.046 | 0.313 |
Number of reflections | 25277 | 1788 |
<I/σ(I)> | 8.5 | 2.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 3.6 | 3.5 |
CC(1/2) | 0.997 | 0.817 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 50mM Tris, pH 7.4, 400mM KCl, 32% PEG4000, 1.2 mM D-camphor |