2PPY
Crystal structure of Enoyl-CoA hydrates (gk_1992) from Geobacillus Kaustophilus HTA426
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-10-09 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.97915, 0.97973, 0.90000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 136.201, 137.345, 79.131 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.630 - 2.160 |
R-factor | 0.176 |
Rwork | 0.176 |
R-free | 0.21900 |
Structure solution method | MAD |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.087 | 0.291 |
Number of reflections | 149368 | |
Completeness [%] | 100.0 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 40% PEG 400, 100mM imidazole, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |