8PRR
The structure of nvBagel4 in the presence of Co(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 | 2020-07-30 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.97629 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 55.830, 55.830, 108.450 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.480 - 1.320 |
R-factor | 0.21 |
Rwork | 0.207 |
R-free | 0.25920 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.647 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.220 | 1.340 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.049 | 1.646 |
Rmeas | 0.050 | 2.073 |
Rpim | 0.010 | 1.231 |
Total number of observations | 361486 | 902 |
Number of reflections | 19215 | 421 |
<I/σ(I)> | 23.6 | 0.4 |
Completeness [%] | 93.3 | |
Redundancy | 18.8 | 2.1 |
CC(1/2) | 0.999 | 0.284 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6.5 | 293.15 | 0.0085 M Cobalt chloride, 0.085 M MES pH 6.5, 1.53 M Ammonium sulfate, 15 %(v/v) Glycerol |