3FQQ
Crystal structure of a novel dimeric form of HCV NS5A domain I protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 57.106, 57.106, 197.365 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.2223 |
Rwork | 0.222 |
R-free | 0.25534 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Monomer from 1ZH1 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.237 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.250 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.108 | 0.535 |
Number of reflections | 19703 | |
<I/σ(I)> | 17.7 | 2 |
Completeness [%] | 99.2 | 92 |
Redundancy | 6.2 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 22% PEG-3350, 0.1 M HEPES pH 7.5, and 10% (v/v) isopropanol; 2,6-dimethyl-4-heptyl-beta-D-maltopyranoside (Hampton detergent screen 2, No. 3), VAPOR DIFFUSION, HANGING DROP, temperature 277K |