8PR9
The structure of v13Bagel2
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 | 2020-02-20 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.518, 83.515, 96.946 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.350 - 2.350 |
| R-factor | 0.23937 |
| Rwork | 0.236 |
| R-free | 0.29406 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.348 |
| Data reduction software | DIALS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 96.950 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.122 | 0.816 |
| Rmeas | 0.127 | 0.856 |
| Rpim | 0.035 | 0.254 |
| Total number of observations | 331634 | 14219 |
| Number of reflections | 25904 | 1272 |
| <I/σ(I)> | 8.4 | 0.8 |
| Completeness [%] | 100.0 | |
| Redundancy | 12.8 | 11.2 |
| CC(1/2) | 0.999 | 0.952 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 293.15 | 0.1 M HEPES pH 7 30% v/v Jeffamine M-600 pH 7.0 |
