4TV5
Crystal Structure of Citrate Synthase SbnG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 3 1 2 |
| Unit cell lengths | 74.290, 74.290, 76.720 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.720 - 1.850 |
| R-factor | 0.1975 |
| Rwork | 0.197 |
| R-free | 0.21130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.084 |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP (10.2.23) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 76.720 | 33.433 | 1.950 |
| High resolution limit [Å] | 1.850 | 5.850 | 1.850 |
| Rmerge | 0.062 | 0.314 | |
| Rmeas | 0.095 | ||
| Rpim | 0.032 | 0.024 | 0.112 |
| Total number of observations | 178057 | 5367 | 26530 |
| Number of reflections | 20780 | ||
| <I/σ(I)> | 14.3 | 25.1 | 5.6 |
| Completeness [%] | 99.5 | 92.2 | 100 |
| Redundancy | 8.6 | 8.2 | 8.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 0.2 M calcium acetate, 0.1 M Imidazole, 4% PEG 8000 |
