4B6E
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 ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-26 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 91.404, 111.309, 141.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.570 - 2.460 |
| R-factor | 0.19094 |
| Rwork | 0.187 |
| R-free | 0.25723 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cu1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.386 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CSEARCH |
| Refinement software | REFMAC (5.2.0019I) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.600 | 2.490 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.070 | 0.380 |
| Number of reflections | 52842 | |
| <I/σ(I)> | 10.3 | 2.7 |
| Completeness [%] | 98.7 | 100 |
| Redundancy | 3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 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) |
