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 |