Experimental procedure
Experimental method | LAUE |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-11-10 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.73 - 1.85 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 356.980, 70.400, 75.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.880 - 2.800 |
R-factor | 0.23921 |
Rwork | 0.236 |
R-free | 0.28010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.304 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.31) |
Phasing software | PHENIX |
Refinement software | REFMAC (v5.5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 24.880 | 2.750 |
High resolution limit [Å] | 2.690 | 2.690 |
Number of reflections | 53788 | 7963 |
<I/σ(I)> | 7.49 | 0.59 |
Completeness [%] | 98.0 | 92.2 |
Redundancy | 13.16 | 11.77 |
CC(1/2) | 0.990 | 0.270 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298.15 | pH 4.5, 100mM Na-acetate/acetic acid, 200mM lithium sulfate, 50% (v/v) PEG 400, 0.5uL of 100% PEG 400 |