5UQS
Crystal structure of Citrate synthase from Sus scrofa
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-23 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.575, 59.884, 74.761 |
| Unit cell angles | 99.60, 98.47, 117.53 |
Refinement procedure
| Resolution | 34.000 - 1.600 |
| R-factor | 0.15384 |
| Rwork | 0.153 |
| R-free | 0.17844 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3enj |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.584 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.010 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.061 | 0.344 |
| Rmeas | 0.068 | 0.530 |
| Rpim | 0.046 | 0.359 |
| Number of reflections | 104042 | 5428 |
| <I/σ(I)> | 19.95 | 2.17 |
| Completeness [%] | 96.6 | 94.9 |
| Redundancy | 2.2 | 2.2 |
| CC(1/2) | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2 NaTartrate pH 7.85, 20% PEG3350 |
