Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-01-24 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.95373 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 102.124, 139.123, 178.145 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.200 |
R-factor | 0.27002 |
Rwork | 0.269 |
R-free | 0.28822 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.730 |
Data reduction software | XDS |
Data scaling software | STARANISO |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.648 | 2.505 |
High resolution limit [Å] | 2.200 | 2.203 |
Number of reflections | 30190 | 1509 |
<I/σ(I)> | 7.9 | 1.8 |
Completeness [%] | 92.7 | |
Redundancy | 7 | |
CC(1/2) | 0.997 | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 14-16 w/v % PEG3350, 24-25 v/v % 2-methyl-2,4-pentanediol and 0.1 M tri-sodium-citrate buffer at pH 5.4 |