8XU2
DaCS-citrate 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 | 2021-12-08 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 |
| Unit cell lengths | 362.335, 362.335, 77.886 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.660 - 2.190 |
| R-factor | 0.17633 |
| Rwork | 0.175 |
| R-free | 0.20347 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.314 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.660 | 2.220 |
| High resolution limit [Å] | 2.180 | 2.190 |
| Rmerge | 0.567 | |
| Rmeas | 0.606 | |
| Rpim | 0.210 | |
| Number of reflections | 191541 | 9494 |
| <I/σ(I)> | 32 | |
| Completeness [%] | 97.5 | |
| Redundancy | 8.2 | 8 |
| CC(1/2) | 0.991 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.2 M Potassium chloride, 0.1 M HEPES pH 7.5 and 35% v/v Pentaerythritol propoxylate (5/4 PO/OH) |
