1BN6
HALOALKANE DEHALOGENASE FROM A RHODOCOCCUS SPECIES
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-04 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 93.520, 79.970, 43.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.167 |
| Rwork | 0.167 |
| R-free | 0.17500 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MODEL AT PH 5.5 |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.650 * |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS (0.3) |
| Refinement software | CNS (0.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.560 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.065 * | 0.264 * |
| Number of reflections | 53599 | |
| <I/σ(I)> | 9 | 2.8 |
| Completeness [%] | 97.2 | 83.6 |
| Redundancy | 4.8 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 * | 8 * | pH 7.0 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5 (mg/ml) | |
| 2 | 1 | drop | Tris-SO4 | 10 (mM) | |
| 3 | 1 | reservoir | PEG1500 | 25 (%) | |
| 4 | 1 | reservoir | MES | 0.1 (M) | |
| 5 | 1 | reservoir | sodium acetate | 0.3 (M) |
