4L4F
Structure of cyanide and camphor bound P450cam mutant L358A/K178G/D182N
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-25 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.565, 103.413, 106.043 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.448 - 1.294 |
R-factor | 0.1959 |
Rwork | 0.195 |
R-free | 0.21510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cpp |
RMSD bond length | 0.008 |
RMSD bond angle | 1.196 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.320 |
High resolution limit [Å] | 1.294 | 1.294 |
Rmerge | 0.057 | 0.670 |
Number of reflections | 95488 | |
<I/σ(I)> | 35 | 2 |
Completeness [%] | 95.0 | 94 |
Redundancy | 3.6 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 50 mM Tris, 400 mM potassium chloride, 32% PEG4000, 1.2 mM D-camphor, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |