8PRH
The structure of nvBagel7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-30 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 54.131, 54.131, 49.302 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.280 - 1.600 |
| R-factor | 0.1721 |
| Rwork | 0.171 |
| R-free | 0.19560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.114 |
| 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] | 54.130 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.056 | 0.243 |
| Rmeas | 0.057 | 0.250 |
| Rpim | 0.011 | 0.057 |
| Total number of observations | 244109 | 9268 |
| Number of reflections | 10181 | 499 |
| <I/σ(I)> | 38.3 | 6.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 24 | 18.6 |
| CC(1/2) | 1.000 | 0.988 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 293.15 | 0.17 M Ammonium acetate, 0.085 M tri-Sodium citrate pH 5.6, 25.5 %(w/v) PEG 4000, 15 %(v/v) Glycerol |
