7S76
HBV CAPSID Y132A WITH COMPOUND 10b AT 2.5A RESOLUTION
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2018-08-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.976251 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 152.239, 88.306, 103.712 |
Unit cell angles | 90.00, 103.89, 90.00 |
Refinement procedure
Resolution | 47.260 - 2.500 |
R-factor | 0.271 |
Rwork | 0.270 |
R-free | 0.29750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e0i |
RMSD bond length | 0.006 |
RMSD bond angle | 1.661 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.650 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 46072 | 7351 |
<I/σ(I)> | 5.4 | 1.06 |
Completeness [%] | 99.4 | 98.9 |
Redundancy | 3.33 | |
CC(1/2) | 0.990 | 0.742 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 10% PEG 3350, 10 to 14% (+/-)-2-methyl-2,4-pentanediol (MPD), 8 to 10% isopropanol, and 100 mM ammonium citrate/citric acid |