Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-04-21 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.120, 108.463, 110.314 |
Unit cell angles | 90.00, 94.51, 90.00 |
Refinement procedure
Resolution | 48.686 - 2.800 |
Rwork | 0.200 |
R-free | 0.22850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4btm |
RMSD bond length | 0.003 |
RMSD bond angle | 0.988 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.690 | 2.873 |
High resolution limit [Å] | 2.800 | 2.800 |
Number of reflections | 36393 | 2552 |
<I/σ(I)> | 5 | |
Completeness [%] | 99.5 | 99.78 |
Redundancy | 3.4 | |
CC(1/2) | 0.992 | 0.441 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | 27% PEG 4000, 200mM NH4SO4, 100 mM Na Citrate pH5.6 and 10 mM TCEP |