Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-09 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.00 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 71.609, 71.609, 309.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.750 - 2.750 |
R-factor | 0.2483 |
Rwork | 0.246 |
R-free | 0.29916 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.975 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.750 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.407 | 3.602 |
Rmeas | 0.424 | 3.762 |
Rpim | 0.117 | 1.075 |
Total number of observations | 37421 | |
Number of reflections | 22176 | 3134 |
<I/σ(I)> | 7.7 | 0.9 |
Completeness [%] | 100.0 | |
Redundancy | 12.8 | 11.9 |
CC(1/2) | 0.991 | 0.517 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 1.3-1.5M Ammonium Sulfate, 0.050 M Tris.HCl(pH8.9), 0.050M Bicine (pH 9) |