3BDZ
The Role of Asn 242 in P450cin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-12-02 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.330, 68.230, 103.560 |
Unit cell angles | 90.00, 95.53, 90.00 |
Refinement procedure
Resolution | 46.300 - 2.000 |
Rwork | 0.181 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1t2b |
RMSD bond length | 0.015 |
RMSD bond angle | 1.800 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.200 | |
Number of reflections | 56425 | |
Completeness [%] | 78.0 | 78 |
Redundancy | 3.7 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 0.8M Sodium malonate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |