2W11
Structure of the L-2-haloacid dehalogenase from Sulfolobus tokodaii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-05 |
| Detector | MARRESEARCH |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.589, 58.082, 51.192 |
| Unit cell angles | 90.00, 97.23, 90.00 |
Refinement procedure
| Resolution | 23.210 - 1.900 |
| R-factor | 0.164 |
| Rwork | 0.163 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qq5 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.266 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0057) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.210 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.160 |
| Number of reflections | 27770 | |
| <I/σ(I)> | 16 | 5.7 |
| Completeness [%] | 97.6 | 75 |
| Redundancy | 3.48 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M HEPES, 20% PEG6000 PH7.0 |
