3SIS
Crystal structure of Porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3_Gc
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-23 |
Detector | ADSC QUANTUM 210r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.310, 56.770, 110.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.120 - 2.200 |
R-factor | 0.19522 |
Rwork | 0.193 |
R-free | 0.23837 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2i2s |
RMSD bond length | 0.008 |
RMSD bond angle | 1.162 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.620 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.054 | 0.258 |
Number of reflections | 18082 | |
<I/σ(I)> | 10.1 | 1.5 |
Completeness [%] | 98.5 | 91.8 |
Redundancy | 11.72 | 3.77 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 15-20 mg/mL protein, 65-75% MPD, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |