1B6G
HALOALKANE DEHALOGENASE AT PH 5.0 CONTAINING CHLORIDE
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1998-04-06 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 92.180, 72.029, 40.909 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.150 |
| R-factor | 0.1059 |
| R-free | 0.14540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1be0 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.029 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXL-97 |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.170 |
| High resolution limit [Å] | 1.152 | 1.150 |
| Rmerge | 0.039 | 0.316 |
| Total number of observations | 347849 * | |
| Number of reflections | 94837 | |
| <I/σ(I)> | 30.8 | 2.7 |
| Completeness [%] | 97.6 | 92.5 |
| Redundancy | 3.67 | 3.52 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5 | pH 5.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.5 (mg/ml) | |
| 2 | 1 | drop | ammonium sulfate | 24-26 (%) | saturated at 273K |
| 3 | 1 | drop | MES | 100 (mM) | |
| 4 | 1 | reservoir | ammonium sulfate | 49-53 (%) | |
| 5 | 1 | reservoir | MES | 100 (mM) |
