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 | 2020-01-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9788 |
Spacegroup name | I 4 |
Unit cell lengths | 107.620, 107.620, 75.250 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.315 - 2.100 |
R-factor | 0.2281 |
Rwork | 0.226 |
R-free | 0.26660 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.143 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.044 | 0.837 |
Rmeas | 0.046 | 0.910 |
Number of reflections | 25053 | 1855 |
<I/σ(I)> | 32.3 | 3.43 |
Completeness [%] | 99.5 | 100 |
Redundancy | 13.4 | 14.1 |
CC(1/2) | 1.000 | 0.874 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 0.1 M Bis-Tris,1M sodium citrate |