Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 270 |
Detector technology | PIXEL |
Collection date | 2022-08-03 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 2.00 |
Spacegroup name | H 3 |
Unit cell lengths | 64.490, 64.490, 46.190 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 35.590 - 2.955 |
Rwork | 0.125 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | X3DNA |
RMSD bond length | 0.006 |
RMSD bond angle | 1.196 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.590 | 3.020 |
High resolution limit [Å] | 2.950 | 2.970 |
Number of reflections | 2783 | 1399 |
<I/σ(I)> | 2 | |
Completeness [%] | 97.0 | |
Redundancy | 9.2 | |
CC(1/2) | 0.992 | 0.300 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 20%MPD, 120mMMgCl2, 60mM NaCaCo, 2mM Spermine |