6FS8
Influenza B/Memphis/13/03 endonuclease with bound inhibitor, baloxavir acid (BXA)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.254 |
Spacegroup name | P 43 |
Unit cell lengths | 59.820, 59.820, 125.890 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.860 - 1.800 |
R-factor | 0.18494 |
Rwork | 0.183 |
R-free | 0.21507 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB:5FML |
RMSD bond length | 0.010 |
RMSD bond angle | 1.437 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.860 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.064 | 0.471 |
Number of reflections | 37506 | |
<I/σ(I)> | 13.6 | 2.6 |
Completeness [%] | 91.8 | 93.7 |
Redundancy | 3.6 | 3.4 |
CC(1/2) | 0.998 | 0.862 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Protein, at 15-17 mg/ml, was incubated with 10-fold molar excess of BXA for 30 min at RT, mixtures were centrifuged at RT for 5 minutes at 12000 g, and soluble fraction was used for crystallization trials (final protein concentration 8-10 mg/ml). Mother liquor was 0.2 M NaCl, 0.1 M Na(CH3)2AsO2 pH 6.5, 2 M (NH4)2SO4 |