8PRA
The structure of v13Bagel4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-28 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.708, 83.499, 97.684 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.470 - 2.050 |
R-factor | 0.2758 |
Rwork | 0.274 |
R-free | 0.31180 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.469 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 83.500 | 2.090 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.086 | 0.741 |
Rmeas | 0.091 | 0.782 |
Rpim | 0.029 | 0.246 |
Total number of observations | 373426 | 18576 |
Number of reflections | 40133 | 1981 |
<I/σ(I)> | 7.9 | 0.5 |
Completeness [%] | 100.0 | |
Redundancy | 9.3 | 9.4 |
CC(1/2) | 0.999 | 0.847 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293.15 | 0.14 M tri-Sodium citrate 0.07 M Sodium cacodylate pH 6.5 21 %(v/v) Isopropanol 30 %(v/v) Glycerol |