Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-07-05 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.999987 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 90.565, 90.565, 122.387 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.250 - 1.800 |
Rwork | 0.182 |
R-free | 0.20260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5mut |
RMSD bond length | 0.005 |
RMSD bond angle | 1.365 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.293 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 54364 | 3192 |
<I/σ(I)> | 17.6 | |
Completeness [%] | 100.0 | |
Redundancy | 9 | |
CC(1/2) | 0.999 | 0.691 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 293 | 32% PEG 400 0.2M KSCN 0.2M NaBr 0.1M acetate 4.8 |