1AQ6
STRUCTURE OF L-2-HALOACID DEHALOGENASE FROM XANTHOBACTER AUTOTROPHICUS
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7B |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7B |
| Temperature [K] | 120 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-07-30 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.246, 84.160, 91.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 1.950 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.24800 |
| Structure solution method | MULTIPLE ISOMORPHOUS REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.025 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.042 | 0.156 |
| Total number of observations | 438845 * | |
| Number of reflections | 32507 | |
| <I/σ(I)> | 15.2 | 6 |
| Completeness [%] | 99.4 | 98.7 |
| Redundancy | 13.5 | 13.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7 | used to 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 | 16 (%(w/v)) | |
| 3 | 1 | drop | sodium formate | 200 (mM) | |
| 4 | 1 | drop | Bis-Tris | 100 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 20-22 (%) | |
| 6 | 1 | reservoir | sodium formate | 200 (mM) | |
| 7 | 1 | reservoir | bis-Tris | 100 (mM) |
