4B76
Discovery of an allosteric mechanism for the regulation of HCV NS3 protein function
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 | 2009-04-30 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.353, 110.311, 142.149 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.150 - 2.140 |
| R-factor | 0.19696 |
| Rwork | 0.194 |
| R-free | 0.25338 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cu1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.475 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0025) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.200 | 2.200 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.080 | 0.400 |
| Number of reflections | 83807 | |
| <I/σ(I)> | 9.5 | 2.8 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 3.2 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 0.2 M 2-(N-MORPHOLINO)ETHANESULFONIC ACID (MES)-NAOH PH 6.6, 14-20% W/V POLYETHYLENE GLYCOL (PEG) 6000, 10% W/V 2-METHYL-2,4-PENTANDIOL (MPD) |
