Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2021-07-18 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.91976 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.653, 48.002, 82.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.399 - 1.350 |
Rwork | 0.182 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.846 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.400 | 1.398 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmeas | 0.066 | 1.179 |
Number of reflections | 36233 | 3493 |
<I/σ(I)> | 7.8 | 0.86 |
Completeness [%] | 97.4 | 96.09 |
Redundancy | 1.83 | 3 |
CC(1/2) | 0.997 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 1.5M Ammonium sulfate, 0.1M Bis-Tris Propane pH 7.0 |