4E6Y
Type II citrate synthase from Vibrio vulnificus.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 63 2 2 |
| Unit cell lengths | 109.717, 109.717, 153.649 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.400 - 2.500 |
| R-factor | 0.1907 |
| Rwork | 0.189 |
| R-free | 0.23140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l96 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.673 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.400 | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
| Rmerge | 0.146 | 0.083 | 0.939 |
| Number of reflections | 19591 | ||
| <I/σ(I)> | 9.2 | 4.7 | |
| Completeness [%] | 99.9 | 98.9 | 100 |
| Redundancy | 17.4 | 15.8 | 17.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 0.2 M sodium formate, 20 % PEG-3350, 20 mM HEPES buffer, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
