8XXF
TtCS, oxaloacetate, acetyl-CoA complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 108.490, 131.760, 207.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.150 - 2.330 |
| R-factor | 0.18941 |
| Rwork | 0.187 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.712 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.150 | 2.390 |
| High resolution limit [Å] | 2.330 | 2.330 |
| Rmerge | 0.319 | 2.213 |
| Rmeas | 0.349 | |
| Rpim | 0.139 | |
| Number of reflections | 127185 | 9287 |
| <I/σ(I)> | 5.9 | 0.9 |
| Completeness [%] | 99.9 | |
| Redundancy | 11.7 | |
| CC(1/2) | 0.983 | 0.449 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 333.15 | 0.1 M BIS-TRIS pH 6.5, 2.4 M Ammonium sulfate |
