3FQM
Crystal structure of a novel dimeric form of HCV NS5A domain I protein
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 57.165, 57.165, 195.385 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.770 - 1.900 |
| R-factor | 0.248 |
| Rwork | 0.247 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Monomer from 1ZH1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.222 |
| 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] | 34.770 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.054 | 0.398 |
| Number of reflections | 30054 | |
| <I/σ(I)> | 44 | 3.6 |
| Completeness [%] | 99.3 | 98.6 |
| Redundancy | 7.1 | 6.7 |
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, 10% (v/v) isopropanol, N-nonylphosphocholine (FOS-CHOLINE-9 from Hampton screen 3, No. 18), VAPOR DIFFUSION, HANGING DROP, temperature 277K |
