4A92
Full-length HCV NS3-4A protease-helicase in complex with a macrocyclic protease inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-11-10 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 91.972, 110.470, 137.227 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.400 - 2.730 |
R-factor | 0.1807 |
Rwork | 0.178 |
R-free | 0.23050 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 1.190 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | BUSTER (2.9.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.400 | 2.810 |
High resolution limit [Å] | 2.730 | 2.730 |
Rmerge | 0.090 | 0.460 |
Number of reflections | 37797 | |
<I/σ(I)> | 17.2 | 4.6 |
Completeness [%] | 99.8 | 100 |
Redundancy | 4.5 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | PROTEIN AT 8.75 MG/ML IN 25MM TRIS PH 7.5, 10% GLYCEROL, 1M NACL, 1MM TCEP, 0.1% BETA-OCTYL-GLUCOSIDE; HANGING DROP VAPOR DIFFUSION. RESERVOIR: 20% PME2000, 200 MM NA THIOCYANATE; MICRO-SEEDED (SEED-BEAD). |