8GIH
Structure of Hepatitis B Virus Capsid Y132A mutant in complex with Compound 24
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-01 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97856 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.780, 87.570, 103.260 |
Unit cell angles | 90.00, 103.48, 90.00 |
Refinement procedure
Resolution | 36.900 - 2.650 |
R-factor | 0.208 |
Rwork | 0.205 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e0i |
RMSD bond length | 0.005 |
RMSD bond angle | 0.960 |
Data reduction software | XDS (20151015) |
Data scaling software | XSCALE (20151231) |
Phasing software | PHASER |
Refinement software | PHENIX (DEV_2463) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.720 |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.097 | 0.031 | 0.539 |
Rmeas | 0.115 | 0.038 | 0.640 |
Number of reflections | 38129 | 420 | 2796 |
<I/σ(I)> | 10.24 | 2.32 | |
Completeness [%] | 99.3 | 99.8 | |
Redundancy | 3.4 | 3.4 | |
CC(1/2) | 0.997 | 0.999 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 100 mM ammonium citrate/citric acid pH 6.5, 9% isopropanol, 9.45% PEG 3350, 9% MPD |