2QQ3
Crystal Structure Of Enoyl-CoA Hydrates Subunit I (gk_2039) Other Form From Geobacillus Kaustophilus HTA426
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B2 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-14 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.563, 115.048, 163.163 |
| Unit cell angles | 90.00, 93.80, 90.00 |
Refinement procedure
| Resolution | 22.800 - 1.950 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.22300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pbp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.060 | 0.359 |
| Number of reflections | 199726 | |
| Completeness [%] | 98.0 | 97.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 25% PEG MME 2000, 0.1M Tris-HCl, 0.01M Ni Chloride, pH8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
