Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-09-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.987 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 83.516, 154.074, 100.781 |
Unit cell angles | 90.00, 108.32, 90.00 |
Refinement procedure
Resolution | 73.430 - 2.760 |
R-factor | 0.1956 |
Rwork | 0.194 |
R-free | 0.24270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.586 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 81.280 | 2.864 |
High resolution limit [Å] | 2.760 | 2.760 |
Rmerge | 0.133 | |
Number of reflections | 60804 | 6140 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 98.3 | |
Redundancy | 6 | |
CC(1/2) | 0.983 | 0.983 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 0.2 M ammonium acetate, 30% w/v polyethylene glycol 4000, 0.1 M sodium citrate tribasic dihydrate, pH 5.6 |