3SJ8
Crystal structure of the 3C protease from coxsackievirus A16
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-09-25 |
Detector | RIGAKU RAXIS VII |
Spacegroup name | P 43 |
Unit cell lengths | 40.586, 40.586, 99.287 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.300 - 2.199 |
R-factor | 0.1937 |
Rwork | 0.192 |
R-free | 0.22560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2zty |
RMSD bond length | 0.014 |
RMSD bond angle | 1.358 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.199 | 2.200 |
Rmerge | 0.073 | 0.510 |
Number of reflections | 8199 | |
<I/σ(I)> | 21.067 | 2.357 |
Completeness [%] | 99.7 | 99 |
Redundancy | 4.5 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 291 | 0.1 M Bis-Tris, pH 5.5, 0.1 M ammonium acetate, 17% w/v PEG10000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |