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) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 142.610, 140.110, 87.840 |
Unit cell angles | 90.00, 124.67, 90.00 |
Refinement procedure
Resolution | 48.940 - 1.765 |
R-factor | 0.1912 |
Rwork | 0.190 |
R-free | 0.21240 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.970 |
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] | 48.940 | 1.800 |
High resolution limit [Å] | 1.765 | 1.765 |
Number of reflections | 127742 | 4207 |
<I/σ(I)> | 12.2 | |
Completeness [%] | 95.1 | |
Redundancy | 3.4 | |
CC(1/2) | 0.999 | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 295 | AMMONIUM CITRATE |