3LBE
The Crystal Structure of smu.793 from Streptococcus mutans UA159 bound to acetyl CoA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-25 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.536, 68.536, 118.817 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.292 - 1.700 |
| R-factor | 0.1323 |
| Rwork | 0.129 |
| R-free | 0.18750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1psu |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.128 |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 61674 | |
| Completeness [%] | 99.1 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 25% PEG 1000, 0.2M NaCl, 0.1M Na/K phosphate pH6.5, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
