8I71
Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-07 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 64.392, 67.565, 86.246 |
Unit cell angles | 68.60, 69.81, 83.87 |
Refinement procedure
Resolution | 33.513 - 1.600 |
R-factor | 0.1558 |
Rwork | 0.155 |
R-free | 0.19250 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 0.966 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | PHENIX (1.10) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.630 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.050 | 0.811 |
Number of reflections | 650539 | 160629 |
<I/σ(I)> | 23.2 | |
Completeness [%] | 95.5 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100 mM citrate, 21%(vol/vol) isopropanol, 1%(W/V) PEG 10000 |