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) |