3KEE
HCV NS3/NS4A complexed with Non-covalent macrocyclic compound TMC435
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-11 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 0.97550 |
| Spacegroup name | P 1 |
| Unit cell lengths | 48.034, 54.454, 85.495 |
| Unit cell angles | 92.44, 93.16, 116.04 |
Refinement procedure
| Resolution | 48.800 - 2.400 |
| R-factor | 0.19882 |
| Rwork | 0.196 |
| R-free | 0.24607 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kf2 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.955 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.151 | 0.683 |
| Number of reflections | 29045 | |
| <I/σ(I)> | 10 | 2.1 |
| Completeness [%] | 95.9 | 95.9 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 0.1M Hepes, 1.9M Ammonium sulphate, 0.35M NaCl, 10% Isopropanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
