2QBO
Crystal structure of the P450cam G248V mutant in the cyanide bound state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-12 |
Detector | MARRESEARCH |
Wavelength(s) | 1.006 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 63.680, 63.680, 241.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.900 |
Rwork | 0.201 |
R-free | 0.25200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1yrc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.269 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 39886 | |
<I/σ(I)> | 15 | 3.3 |
Completeness [%] | 99.0 | 96 |
Redundancy | 3.9 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 1 UL OF 15 MG/ML P450 IN 50 MM Potassium phosphate, 250 MM KCL WERE MIXED WITH AN EQUAL VOLUME OF THE RESERVOIR SOLUTION (100 mM Tris, 250 mM KCl, 27-30% PEG 8000, 100 MM DTE), pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |