1QJU
HUMAN RHINOVIRUS 16 COAT PROTEIN IN COMPLEX WITH ANTIVIRAL COMPOUND VP61209
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 277 |
Detector technology | FILM |
Collection date | 1994-04-15 |
Detector | KODAK FILM |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 362.600, 347.100, 334.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.800 |
R-factor | 0.206 |
Rwork | 0.206 |
R-free | 0.21200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aym |
RMSD bond length | 0.006 |
RMSD bond angle | 26.700 * |
Data reduction software | PURDUE (DATA PROCESSING PACKAGE) |
Data scaling software | PURDUE (DATA PROCESSING PACKAGE) |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.930 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.078 | 0.123 * |
Number of reflections | 590371 | |
Completeness [%] | 58.7 | 44.5 * |
Redundancy | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | VIRUS WAS CRYSTALLISED USING THE HANGING DROP METHOD. 5 MICROLITERS OF VIRUS SOLUTION IN 0.25M HEPES BUFFER (PH 7.5), WITH 0.25M NACL WAS MIXED WITH 5 MICROLITERS OF THE RESERVOIR SOLUTION, 0.5-1.5% PEG 8000. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 8-10 (mg/ml) | |
2 | 1 | drop | HEPES | 0.25 (mM) | |
3 | 1 | drop | PEG8000 | 0.5-1.5 (%) | |
4 | 1 | reservoir | PEG8000 | 0.5-1.5 (%) |