3ZZ4
Crystal structure of 3C protease mutant (T68A and N126Y) of coxsackievirus B3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 82.450, 64.730, 82.340 |
Unit cell angles | 90.00, 125.48, 90.00 |
Refinement procedure
Resolution | 67.050 - 2.100 |
R-factor | 0.20342 |
Rwork | 0.200 |
R-free | 0.26329 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CRYSTAL STRUCTURE OF COXSACKIEVIURS B3 3C PROTEASE |
RMSD bond length | 0.020 |
RMSD bond angle | 1.944 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.620 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.100 | 0.490 |
Number of reflections | 20704 | |
<I/σ(I)> | 8.8 | 2.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 3.7 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 100 MM TRIS-HCL PH 8.5, 0.2 M MAGNESIUM CHLORIDE, AND 22% PEG 4000; SITTING DROP |