Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 11.2C |
Synchrotron site | ELETTRA |
Beamline | 11.2C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.00 |
Spacegroup name | F 4 3 2 |
Unit cell lengths | 181.990, 181.990, 181.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.340 - 1.240 |
Rwork | 0.158 |
R-free | 0.17980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5erk |
RMSD bond length | 0.020 |
RMSD bond angle | 2.243 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.340 | 1.260 |
High resolution limit [Å] | 1.240 | 1.240 |
Rmerge | 0.122 | 1.800 |
Rpim | 0.014 | 0.364 |
Number of reflections | 88885 | 3593 |
<I/σ(I)> | 34.9 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 20 | 15 |
CC(1/2) | 1.000 | 0.772 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.8 M ammonium sulphate 0.1 M TrisHCl pH 7.4 60 mM cadmium sulphate |