3ZN2
protein engineering of halohydrin dehalogenase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-15 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 103.330, 103.330, 118.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.960 - 1.800 |
R-factor | 0.2149 |
Rwork | 0.212 |
R-free | 0.26319 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1px0 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.954 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.150 | 1.060 |
Number of reflections | 58148 | |
<I/σ(I)> | 10.65 | 1.59 |
Completeness [%] | 97.0 | 81.1 |
Redundancy | 8.8 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |