Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-04-30 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97623 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.150, 73.150, 131.670 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 57.151 - 1.850 |
Rwork | 0.185 |
R-free | 0.21690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yz5 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.682 |
Data reduction software | XSCALE |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.151 | 1.900 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.086 | 2.050 |
Rpim | 0.028 | 0.460 |
Number of reflections | 35506 | 2585 |
<I/σ(I)> | 18.2 | 1.7 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 19.7 | 20.9 |
CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Crystals were grown at using the sitting drop vapor diffusion method by mixing 0.2 uL of the 18 mg/mL H11-H4 RBD complex with 0.1 uL of the crystallization buffer containing 0.2 M Sodium acetate trihydrate, 0.1 M MES pH 6.0, 20 % w/v PEG 8000. The crystals grew overnight and were flash cooled in a solution containing the mother liquor with 30 % (v/v) ethylene glycol. |