2ZU1
crystal structure of CVB3 3C protease mutant C147A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-09-20 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.010, 64.690, 68.660 |
Unit cell angles | 90.00, 91.19, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.380 |
R-factor | 0.1674 |
Rwork | 0.166 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ztx |
RMSD bond length | 0.019 |
RMSD bond angle | 1.924 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.430 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.063 | 0.578 |
Number of reflections | 69121 | |
<I/σ(I)> | 19.9 | 2.1 |
Completeness [%] | 99.1 | 96.8 |
Redundancy | 3.3 | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 286 | 24~30% PEG 4000, 0.2M magnesium chloride, 0.1M Tris-HCl, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 286 K |