Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-10-06 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.1271 |
Spacegroup name | P 31 |
Unit cell lengths | 67.897, 67.897, 88.819 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.030 - 2.099 |
R-factor | 0.2172 |
Rwork | 0.216 |
R-free | 0.23990 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.760 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.4 (23-JAN-2024)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.140 |
High resolution limit [Å] | 2.099 | 5.700 | 2.100 |
Rmerge | 0.169 | 0.078 | 0.909 |
Rmeas | 0.182 | 0.082 | 0.999 |
Rpim | 0.068 | 0.028 | 0.410 |
Number of reflections | 26750 | 1338 | 1341 |
<I/σ(I)> | 7.9 | ||
Completeness [%] | 99.9 | 99.9 | 99.9 |
Redundancy | 6.9 | 8.4 | 5.4 |
CC(1/2) | 0.989 | 0.996 | 0.854 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 28% Peg 3350, 50mM ZnAc, 6% Sucrose |