6LHX
Crystal structure of ThsA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-12 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.97910 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.424, 168.584, 93.614 |
| Unit cell angles | 90.00, 106.71, 90.00 |
Refinement procedure
| Resolution | 31.641 - 2.501 |
| R-factor | 0.2424 |
| Rwork | 0.242 |
| R-free | 0.27270 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.810 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AutoSol |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.140 | 1.666 |
| Rpim | 0.055 | 0.665 |
| Number of reflections | 181015 | 9063 |
| <I/σ(I)> | 10.54 | 1.15 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 7.3 | |
| CC(1/2) | 0.990 | 0.543 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 22% PPG400, 0.1 M MES pH 6.5, 0.2 M MgCl2 |
