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) |