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 |
