8GR9
Crystal structure of peroxisomal citrate synthase (Cit2) from Saccharomyces cerevisiae in complex with oxaloacetate and coenzyme-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-09 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 63.079, 129.659, 68.127 |
| Unit cell angles | 90.00, 116.57, 90.00 |
Refinement procedure
| Resolution | 34.130 - 1.480 |
| R-factor | 0.1782 |
| Rwork | 0.178 |
| R-free | 0.19780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.701 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.130 | 1.530 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Number of reflections | 160915 | 16181 |
| <I/σ(I)> | 23.68 | 4.02 |
| Completeness [%] | 99.1 | |
| Redundancy | 4.3 | |
| CC(1/2) | 0.998 | 0.838 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 80 mM KCl, 80 mM HEPES pH 7.5, 12% (w/v) PEG 6000 |
