Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2024-05-16 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 180.686, 55.588, 138.668 |
Unit cell angles | 90.00, 127.45, 90.00 |
Refinement procedure
Resolution | 40.003 - 2.530 |
Rwork | 0.229 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 1.037 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.170 | 2.640 |
High resolution limit [Å] | 2.530 | 2.530 |
Rmerge | 0.443 | 3.534 |
Rmeas | 0.480 | 3.817 |
Rpim | 0.183 | 1.428 |
Total number of observations | 249415 | 31050 |
Number of reflections | 36870 | 4446 |
<I/σ(I)> | 4.7 | 0.6 |
Completeness [%] | 99.8 | |
Redundancy | 6.8 | 7 |
CC(1/2) | 0.966 | 0.210 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 291 | 17% PEG Smear Medium 10% Tacsimate pH 5.25 0.2M Ammonium Sulfate |