7DCM
Crystal structure of CITX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2018-12-08 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 43.017, 36.784, 48.265 |
| Unit cell angles | 90.00, 92.13, 90.00 |
Refinement procedure
| Resolution | 24.439 - 2.495 |
| R-factor | 0.1795 |
| Rwork | 0.171 |
| R-free | 0.25690 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.074 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.439 | 2.585 |
| High resolution limit [Å] | 2.495 | 2.496 |
| Number of reflections | 5375 | 3570 |
| <I/σ(I)> | 40.6 | |
| Completeness [%] | 99.3 | 98.13 |
| Redundancy | 6.4 | |
| CC(1/2) | 0.997 | 0.996 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 |
