1UIY
Crystal Structure of Enoyl-CoA Hydratase from Thermus Thermophilus HB8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44B2 |
Synchrotron site | SPring-8 |
Beamline | BL44B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-12-10 |
Detector | MARRESEARCH |
Wavelength(s) | 0.980 |
Spacegroup name | H 3 2 |
Unit cell lengths | 131.233, 131.233, 110.608 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.850 |
Rwork | 0.203 |
R-free | 0.26700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dub |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS (1.1) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.980 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.068 | 0.451 |
Number of reflections | 15761 | |
<I/σ(I)> | 13.2 | 5.7 |
Completeness [%] | 100.0 | 86.2 |
Redundancy | 7.69 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 5.9 | 295 | Na Citrate 0.72M, Acetate 0.1M, pH 5.9, microbatch, temperature 295K |