3L62
Crystal structure of substrate-free P450cam at low [K+]
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 | 2009-07-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.581, 73.546, 91.931 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 1.700 |
R-factor | 0.19199 |
Rwork | 0.190 |
R-free | 0.22356 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Structure of P450cam complexed with a tethered substrate analog unpublished |
RMSD bond length | 0.012 |
RMSD bond angle | 1.377 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.950 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.062 | 0.417 |
Number of reflections | 49496 | |
<I/σ(I)> | 13.6 | 2.9 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 3.5 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 279 | 12-22% PEG 8000, 0.05 M Tris, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 279K |