8XXC
DaCS-intermediate 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 | 361.422, 361.422, 77.741 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.070 - 2.030 |
| R-factor | 0.198 |
| Rwork | 0.196 |
| R-free | 0.23900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.428 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.029 | 2.029 |
| Rmerge | 0.185 | 0.983 |
| Rmeas | 0.199 | |
| Rpim | 0.072 | |
| Number of reflections | 242593 | 12183 |
| <I/σ(I)> | 14.5 | |
| Completeness [%] | 99.1 | |
| Redundancy | 7.3 | |
| CC(1/2) | 0.989 | 0.680 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289.15 | 0.1M HEPES pH7.5, 40% v/v Polyethylene glycol 400 |
