8XU1
DaCS-oxaloacetate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-08-18 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 155.100, 111.280, 99.560 |
| Unit cell angles | 90.00, 116.07, 90.00 |
Refinement procedure
| Resolution | 45.110 - 2.460 |
| R-factor | 0.21335 |
| Rwork | 0.211 |
| R-free | 0.25756 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.470 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.110 | 2.520 |
| High resolution limit [Å] | 2.460 | 2.460 |
| Rmerge | 0.182 | 1.366 |
| Rmeas | 0.255 | |
| Rpim | 0.985 | |
| Number of reflections | 54679 | 3830 |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 99.0 | 99.1 |
| Redundancy | 3.3 | 3.5 |
| CC(1/2) | 0.981 | 0.311 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289.15 | 0.2 M KCl, 0.05 M HEPES pH 7.5, 35% v/v Pentaerythritol propoxylate (5/4 PO/OH) |
