3P6R
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3OH-AdaC1-Etg-Boc
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 | 2007-07-06 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97839 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.809, 75.008, 91.781 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.100 |
R-factor | 0.2182 |
Rwork | 0.217 |
R-free | 0.24560 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.299 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 91.781 | 29.037 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.111 | 0.034 | 0.830 |
Total number of observations | 5085 | 22336 | |
Number of reflections | 27551 | ||
<I/σ(I)> | 13.1 | 16.5 | 0.9 |
Completeness [%] | 99.9 | 98.2 | 99.9 |
Redundancy | 5.5 | 5.3 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting-drop vapor diffusion | 6.5 | 279 | 12-22% PEG 8000, 0.1M Sodium cacodylate, pH 6.5, 0.1-0.2M KCl, sitting-drop vapor diffusion, temperature 279K |