8PRC
The structure of v13Bagel8
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) | 0.976292 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 54.159, 54.159, 109.537 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.300 - 2.350 |
| R-factor | 0.242 |
| Rwork | 0.238 |
| R-free | 0.31180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| 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] | 48.550 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.135 | 0.634 |
| Rmeas | 0.138 | 0.646 |
| Rpim | 0.028 | 0.124 |
| Total number of observations | 9240 | |
| Number of reflections | 6417 | 345 |
| <I/σ(I)> | 19.6 | 4.6 |
| Completeness [%] | 100.0 | |
| Redundancy | 25.4 | 26.8 |
| CC(1/2) | 0.999 | 0.994 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293.15 | 0.16 M Zinc acetate, 0.08 M Sodium cacodylate pH 6.5, 14.4 %(w/v) PEG 8000, 20 %(v/v) Glycerol |
