5DIJ
The crystal structure of CT
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.987 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 109.587, 109.587, 210.286 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.265 - 2.700 |
R-factor | 0.2075 |
Rwork | 0.204 |
R-free | 0.26150 |
Structure solution method | SAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.216 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.660 | |
Number of reflections | 18005 | |
<I/σ(I)> | 40.3 | 8.2 |
Completeness [%] | 99.8 | 100 |
Redundancy | 27 | 29 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | isopropanal, PEG 4000 |