Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | Cu FINE FOCUS |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2022-05-17 |
Detector | RIGAKU |
Wavelength(s) | 1.5870 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 210.105, 56.922, 65.066 |
Unit cell angles | 90.00, 107.47, 90.00 |
Refinement procedure
Resolution | 46.381 - 2.792 |
R-factor | 0.1973 |
Rwork | 0.194 |
R-free | 0.25970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7wcl |
RMSD bond length | 0.005 |
RMSD bond angle | 0.766 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.381 | 2.892 |
High resolution limit [Å] | 2.792 | 2.792 |
Rmeas | 0.225 | |
Number of reflections | 17936 | 1467 |
<I/σ(I)> | 8 | 2.9 |
Completeness [%] | 96.9 | 80.08 |
Redundancy | 6.7 | |
CC(1/2) | 0.986 | 0.791 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 18% PEG 8000, 0.2 M Li2SO4, and 0.1 M MES, pH 6.5 |