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 |