3HP0
Crystal structure of a Putative polyketide biosynthesis enoyl-CoA hydratase (pksH) from Bacillus subtilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-04-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 32 |
| Unit cell lengths | 80.908, 80.908, 218.592 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.090 - 2.320 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.27000 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.110 | 0.500 |
| Number of reflections | 67711 | |
| <I/σ(I)> | 9.5 | 6.5 |
| Completeness [%] | 98.0 | 90.2 |
| Redundancy | 9 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 20% PEG 3350 200mM Ammonium(tri-) Citrate (pH 7), VAPOR DIFFUSION, SITTING DROP, temperature 292K |
