Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2019-12-01 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9792 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 72.049, 120.775, 195.558 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.890 - 2.790 |
R-factor | 0.2369 |
Rwork | 0.236 |
R-free | 0.25880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3tgr |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.900 | 2.910 |
High resolution limit [Å] | 2.790 | 2.800 |
Rmerge | 0.176 | |
Number of reflections | 43101 | 4401 |
<I/σ(I)> | 12.5 | |
Completeness [%] | 99.9 | |
Redundancy | 6.25 | |
CC(1/2) | 0.999 | 0.457 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 23% PEG 1500 (w/v), 0.1 M CaCl2, 0.1 M imidazole pH 6.5 |