8PRE
The structure of nvBagel2 in the presence of Zn(II)
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 | I 4 2 2 |
| Unit cell lengths | 55.050, 55.050, 107.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.930 - 3.100 |
| R-factor | 0.2316 |
| Rwork | 0.229 |
| R-free | 0.28830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.484 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.930 | 3.150 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.213 | 1.088 |
| Rmeas | 0.218 | 1.111 |
| Rpim | 0.046 | 0.223 |
| Total number of observations | 40000 | 1929 |
| Number of reflections | 1682 | 79 |
| <I/σ(I)> | 16.2 | 4.4 |
| Completeness [%] | 100.0 | |
| Redundancy | 23.8 | 24.4 |
| CC(1/2) | 0.995 | 0.942 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 293.15 | 0.2 M Zinc acetate, 0.1 M Sodium cacodylate pH 6.5, 10% v/v Isopropanol |
