1QQ6
STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS WITH CHLOROACETIC ACID COVALENTLY BOUND
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-05-01 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.925, 83.556, 91.056 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.100 |
| R-factor | 0.171 |
| Rwork | 0.171 |
| R-free | 0.21900 |
| Starting model (for MR) | 1qqy |
| RMSD bond length | 0.007 |
| RMSD bond angle | 21.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.068 | 0.221 |
| Total number of observations | 276852 * | |
| Number of reflections | 22242 | |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 87.2 | 73.1 |
| Redundancy | 12.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | seeding * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2.5 (mg/ml) | |
| 2 | 1 | drop | PEG8000 | 15 (%) | |
| 3 | 1 | drop | sodium formate | 200 (mM) | |
| 4 | 1 | drop | bis-Tris | 100 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 20 (%) | |
| 6 | 1 | reservoir | sodium formate | 200 (mM) | |
| 7 | 1 | reservoir | bis-Tris | 100 (mM) |
