8PRG
The structure of nvBagel6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-02-14 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.873128 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 54.428, 54.428, 48.753 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.520 - 2.350 |
| R-factor | 0.20161 |
| Rwork | 0.199 |
| R-free | 0.24956 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.520 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.292 | 1.069 |
| Rmeas | 0.303 | 1.106 |
| Rpim | 0.078 | 0.277 |
| Total number of observations | 5094 | |
| Number of reflections | 3356 | 326 |
| <I/σ(I)> | 12.6 | 5.1 |
| Completeness [%] | 100.0 | |
| Redundancy | 14.6 | 15.6 |
| CC(1/2) | 0.992 | 0.864 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 293.15 | 0.17 M Ammonium sulfate, 0.085 M Sodium acetate pH 4.6, 25.5 %(w/v) PEG 2000 MME, 15 %(v/v) Glycerol |
