3TN9
X-ray structure of the HRV2 empty capsid (B-particle)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.979 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 314.010, 356.850, 382.470 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 3.000 |
R-factor | 0.2654 |
Rwork | 0.265 |
R-free | 0.26460 |
Structure solution method | RIGID BODY FITTING |
Starting model (for MR) | Native HRV2 structure PDB entry 1FPN |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | DM (6.1) |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 260.920 | 60.746 | 3.150 |
High resolution limit [Å] | 2.993 | 9.450 | 3.000 |
Rmerge | 0.199 | 0.135 | 0.451 |
Total number of observations | 68060 | 29881 | |
Number of reflections | 308652 | ||
<I/σ(I)> | 5.7 | 4.1 | 1.4 |
Completeness [%] | 72.7 | 90.5 | 40.3 |
Redundancy | 3.2 | 5.4 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M sodium acetate pH 6.5 - 8.0, 5% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293K |