Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 173 |
Detector technology | PIXEL |
Collection date | 2023-05-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.720, 139.260, 88.040 |
Unit cell angles | 90.00, 124.84, 90.00 |
Refinement procedure
Resolution | 47.090 - 1.976 |
R-factor | 0.1932 |
Rwork | 0.192 |
R-free | 0.21260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.950 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | BUSTER |
Refinement software | BUSTER (2.11.8 (22-FEB-2023)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.090 | 2.010 |
High resolution limit [Å] | 1.976 | 1.976 |
Number of reflections | 93889 | 3963 |
<I/σ(I)> | 15 | |
Completeness [%] | 95.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.999 | 0.508 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | ammonium citrate tribasic |