6ABY
Crystal structure of citrate synthase (Msed_1522) from Metallosphaera sedula in complex with oxaloacetate
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 | 2018-05-31 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97934 |
| Spacegroup name | P 1 |
| Unit cell lengths | 50.134, 55.973, 76.965 |
| Unit cell angles | 83.73, 73.94, 72.22 |
Refinement procedure
| Resolution | 33.350 - 2.000 |
| R-factor | 0.1499 |
| Rwork | 0.148 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vgp |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.635 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.075 | 0.054 | 0.281 |
| Rmeas | 0.088 | 0.064 | 0.333 |
| Rpim | 0.045 | 0.034 | 0.177 |
| Total number of observations | 183092 | ||
| Number of reflections | 50558 | 2518 | 2448 |
| <I/σ(I)> | 13.4 | ||
| Completeness [%] | 97.9 | 97.1 | 96.6 |
| Redundancy | 3.6 | 3.6 | 3.4 |
| CC(1/2) | 0.994 | 0.900 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 22% polyethylene glycol (PEG) 3350 0.2M, potassium sodium tartrate tetrahydrate |
