1JXZ
Structure of the H90Q mutant of 4-Chlorobenzoyl-Coenzyme A Dehalogenase complexed with 4-hydroxybenzoyl-Coenzyme A (product)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 277 |
| Detector technology | AREA DETECTOR |
| Collection date | 1997-05-09 |
| Detector | SIEMENS HI-STAR |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 108.100, 102.700, 90.700 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| Rwork | 0.195 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.277 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | TNT |
| Refinement software | TNT |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.050 | 0.216 |
| Number of reflections | 69849 | |
| <I/σ(I)> | 24.3 | 6.4 |
| Completeness [%] | 88.0 | 78 |
| Redundancy | 2.7 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 9 | 4 * | used to seeding, Benning, M.M., (1996) Biochemistry, 35, 8103. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | PEG8000 | 8 (%) | |
| 2 | 1 | 1 | potassium chloride | 200 (mM) | |
| 3 | 1 | 1 | CHES | 50 (mM) | |
| 4 | 1 | 1 | 5 (mM) |
