2CYE
Crystal structure of Thioesterase complexed with coenzyme A and Zn from Thermus thermophilus HB8
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-05-18 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.962, 0.97919, 0.97949 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 89.530, 55.817, 110.147 |
Unit cell angles | 90.00, 102.42, 90.00 |
Refinement procedure
Resolution | 47.050 - 1.900 |
R-factor | 0.208 |
Rwork | 0.208 |
R-free | 0.24200 |
Structure solution method | MAD |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 41903 | |
<I/σ(I)> | 13.3748 | 4.1454 |
Completeness [%] | 99.4 | 98.6 |
Redundancy | 3.9423 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 293 | 0.1M Acetate, 0.8M ammonium sulphate, 3% PEG400, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |