3KXS
Crystal structure of HBV capsid mutant dimer (oxy form), strain adyw
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 93 |
Detector technology | IMAGE PLATE |
Collection date | 2009-07-18 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 |
Unit cell lengths | 104.162, 104.162, 86.917 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.320 - 2.250 |
R-factor | 0.21966 |
Rwork | 0.217 |
R-free | 0.26418 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qgt |
RMSD bond length | 0.020 |
RMSD bond angle | 1.926 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.330 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.076 | 0.572 |
Number of reflections | 228368 | |
<I/σ(I)> | 41.8 | 5.34 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.5 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG1500, Calcium acetate, sodium Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |