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 | 2021-11-03 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.971700 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.230, 71.780, 120.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.289 - 1.479 |
Rwork | 0.184 |
R-free | 0.21390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jv0 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.786 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.289 | 1.520 |
High resolution limit [Å] | 1.479 | 1.479 |
Rmerge | 0.049 | 1.232 |
Rmeas | 0.052 | 1.286 |
Number of reflections | 92506 | 6748 |
<I/σ(I)> | 24.43 | 2.27 |
Completeness [%] | 100.0 | 100 |
Redundancy | 12.48 | 12.35 |
CC(1/2) | 1.000 | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 28-31% PEG4000, 0.2 M Sodium acetate, 0.1 M Tris pH 8.5-9.0 |