2FE6
P450CAM from Pseudomonas putida reconstituted with manganic protoporphyrin IX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2005-07-29 |
Detector | MARRESEARCH |
Wavelength(s) | 0.93 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 64.390, 64.390, 252.730 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.000 - 1.500 |
R-factor | 0.236 |
Rwork | 0.227 |
R-free | 0.24900 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1yrd |
RMSD bond length | 0.007 |
RMSD bond angle | 1.340 |
Data scaling software | XSCALE |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 18.000 | 1.500 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 84598 | 18162 |
<I/σ(I)> | 7.01 | 2.38 |
Completeness [%] | 96.6 | 93.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 7.5 MG/ML P450, 50 MM TRIS, 125 MM KCL, 13.5-15% PEG8000, 50 MM DTE, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K |