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 |
