3ABB
Crystal structure of CYP105D6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0000 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 67.533, 67.533, 182.089 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 33.770 - 2.300 |
R-factor | 0.16325 |
Rwork | 0.160 |
R-free | 0.22110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ued |
RMSD bond length | 0.022 |
RMSD bond angle | 2.016 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.098 | 0.460 |
Number of reflections | 22279 | |
<I/σ(I)> | 25.3 | 4.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 10.7 | 9.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | Sodium formate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |