7A03
The Structure of CHT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2017-08-07 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 93.095, 110.266, 113.871 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.133 - 1.390 |
| R-factor | 0.2463 |
| Rwork | 0.245 |
| R-free | 0.26550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Unpublished |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 71.133 | 71.130 | 1.430 |
| High resolution limit [Å] | 1.390 | 6.220 | 1.390 |
| Rmerge | 0.082 | 0.031 | 1.790 |
| Rmeas | 0.086 | 0.032 | 1.886 |
| Rpim | 0.027 | 0.010 | 0.588 |
| Number of reflections | 234729 | 2892 | 17198 |
| <I/σ(I)> | 13.4 | 1.1 | |
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 10 | 9.7 | 10 |
| CC(1/2) | 0.999 | 0.998 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 292 | 0.1 M Na3 Cit pH 5 20% w/v PEG 6K |
