8PRP
The structure of nvBagel2 in the presence of Cd(II)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-09 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.6900 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 54.970, 54.970, 109.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.700 - 2.820 |
R-factor | 0.2346 |
Rwork | 0.230 |
R-free | 0.31260 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.550 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.700 | 2.870 |
High resolution limit [Å] | 2.820 | 2.820 |
Rmerge | 0.163 | 1.138 |
Rmeas | 0.166 | 1.180 |
Rpim | 0.034 | 0.306 |
Total number of observations | 54030 | 1596 |
Number of reflections | 2236 | 112 |
<I/σ(I)> | 18.3 | 2.3 |
Completeness [%] | 100.0 | |
Redundancy | 24.2 | 14.2 |
CC(1/2) | 0.999 | 0.873 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293.15 | 0.0425 M Cadmium sulfate, 0.085 M HEPES pH 7.5, 0.85 M Sodium acetate, 15 %(v/v) Glycerol |