3P6W
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC3-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 | 66.089, 74.805, 92.946 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.100 |
R-factor | 0.2085 |
Rwork | 0.206 |
R-free | 0.26330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.348 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 92.946 | 28.052 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.041 | 0.526 | |
Total number of observations | 3619 | 15486 | |
Number of reflections | 25134 | ||
<I/σ(I)> | 9.8 | 14.5 | 1.4 |
Completeness [%] | 91.8 | 90.4 | 82.2 |
Redundancy | 4.5 | 4.2 | 4.8 |
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 |