8PRD
The structure of nvBagel2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-09 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97951 |
| Spacegroup name | I 4 |
| Unit cell lengths | 62.490, 62.490, 36.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.190 - 1.410 |
| R-factor | 0.1813 |
| Rwork | 0.178 |
| R-free | 0.24140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.209 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.190 | 1.440 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.031 | 0.638 |
| Rmeas | 0.033 | 0.866 |
| Rpim | 0.009 | 0.579 |
| Total number of observations | 122125 | 525 |
| Number of reflections | 12002 | 301 |
| <I/σ(I)> | 30.2 | 0.8 |
| Completeness [%] | 86.2 | |
| Redundancy | 10.2 | 1.7 |
| CC(1/2) | 1.000 | 0.698 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293.15 | 0.09 M HEPES sodium salt pH 7.5, 1.26 M tri-Sodium citrate, 10 %(v/v) Glycerol |
