1HDE
HALOALKANE DEHALOGENASE MUTANT WITH PHE 172 REPLACED WITH TRP
Experimental procedure
Detector technology | DIFFRACTOMETER |
Collection date | 1994-05 |
Detector | ENRAF-NONIUS FAST |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.680, 73.530, 41.600 |
Unit cell angles | 90.00, 91.32, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.700 |
R-factor | 0.205 |
Rwork | 0.205 |
R-free | 0.25800 |
RMSD bond length | 0.012 * |
RMSD bond angle | 1.900 * |
Data reduction software | MADNES |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 * | |
High resolution limit [Å] | 2.670 * | 2.670 * |
Rmerge | 0.101 | 0.312 * |
Total number of observations | 43099 * | |
Number of reflections | 15796 | |
Completeness [%] | 93.6 | 83.1 * |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 5.8 | pH 5.8 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium sulfate | 52-56 (%(w/v)sat) | |
2 | 1 | reservoir | MES | 100 (mM) |