6ABX
Crystal structure of citrate synthase (Msed_1522) from Metallosphaera sedula in complex with citrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-10-15 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.181, 53.522, 76.285 |
| Unit cell angles | 93.56, 105.73, 102.16 |
Refinement procedure
| Resolution | 29.150 - 1.700 |
| R-factor | 0.1461 |
| Rwork | 0.144 |
| R-free | 0.18030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vgp |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.688 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.840 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.057 | 0.263 |
| Number of reflections | 79198 | 1703 |
| <I/σ(I)> | 22 | |
| Completeness [%] | 97.1 | |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 295 | 800mM sodium phosphate monobasic/1200mM potassium phosphate dibasic, 0.1 M sodium acetate/acetic acid pH 4.2 |
