8PRS
The structure of nvBagel4
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 | 2021-08-10 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.99990 |
Spacegroup name | P 1 |
Unit cell lengths | 55.662, 59.081, 59.071 |
Unit cell angles | 75.52, 71.20, 71.17 |
Refinement procedure
Resolution | 42.640 - 1.750 |
R-factor | 0.1692 |
Rwork | 0.168 |
R-free | 0.18690 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.917 |
Data reduction software | DIALS |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.170 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.044 | 0.066 |
Rmeas | 0.053 | 0.079 |
Rpim | 0.028 | 0.043 |
Total number of observations | 222773 | 10867 |
Number of reflections | 65383 | 3187 |
<I/σ(I)> | 33.7 | 15 |
Completeness [%] | 97.4 | |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.997 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | SMALL TUBES | 293.15 | 0.02 M HEPES pH 8.0, 0.2 M sodium chloride |