2BNM
The structure of Hydroxypropylphosphonic acid epoxidase from S. wedmorenis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-20 |
Detector | MARRESEARCH |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 86.363, 86.363, 221.440 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 30.000 - 1.700 |
R-factor | 0.191 |
Rwork | 0.188 |
R-free | 0.23000 |
Structure solution method | OTHER |
RMSD bond length | 0.012 |
RMSD bond angle | 1.440 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.050 | 0.270 |
Number of reflections | 53414 | |
<I/σ(I)> | 41.5 | 4.9 |
Completeness [%] | 98.5 | 82.7 |
Redundancy | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 2.1 M AMMONIUM SULPHATE, 100 MM TRIS-HCL PH 7.5 |