Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL10U2 |
Synchrotron site | SSRF |
Beamline | BL10U2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2024-01-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9791 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.153, 83.737, 65.740 |
Unit cell angles | 90.00, 100.11, 90.00 |
Refinement procedure
Resolution | 64.720 - 1.940 |
R-factor | 0.1932 |
Rwork | 0.192 |
R-free | 0.22580 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.838 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.720 | 2.040 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.123 | |
Number of reflections | 28952 | 1015 |
<I/σ(I)> | 6.6 | |
Completeness [%] | 94.3 | |
Redundancy | 3.9 | |
CC(1/2) | 0.975 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1M Tris-HCl pH 8.5, 0.1M Bicine pH 8.5, 0.03 M NaF, 0.03 M NaBr, 0.03 M NaI, 25%(w/v) MPD, 25%(w/v) PEG 1000, 25%(w/v) PEG 3350 |