2R7Q
Crystal Structure of VP1 apoenzyme of Rotavirus SA11 (C-terminal hexahistidine-tagged)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.1 |
Synchrotron site | ALS |
Beamline | 8.2.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-04-10 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1808 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.384, 112.474, 143.051 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.900 |
R-factor | 0.23 |
Rwork | 0.230 |
R-free | 0.29000 |
Structure solution method | MIRAS |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 3.000 |
High resolution limit [Å] | 2.900 | 6.230 | 2.900 |
Rmerge | 0.055 | 0.022 | 0.426 |
Number of reflections | 28000 | ||
<I/σ(I)> | 15.7 | ||
Completeness [%] | 99.8 | 99.5 | 99.1 |
Redundancy | 3.9 | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285 | 1 microliter of VP1 at 10 mg/ml in 25 mM Na-HEPES, pH 7.8, 100 mM NaCl mixed with 2 microliter of crystallization buffer [25 mM Na-MES, pH 6.5, 1.5% (w/v) PEG 3350] and allowing the drop to equilibrate at 12 C by hanging-drop vapor diffusion with a well solution identical in composition to the drop except for the protein. With micro-seeding, thin, plate-like crystals appeared after 1 day and grew to full size in about two weeks, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 285K |