3KF2
The HCV NS3/NS4A protease apo structure
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 | 2008-01-30 |
Detector | ADSC QUANTUM 1 |
Wavelength(s) | 0.9800 |
Spacegroup name | H 3 2 |
Unit cell lengths | 224.924, 224.924, 75.545 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 112.460 - 2.500 |
R-factor | 0.207 |
Rwork | 0.205 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2a4g |
RMSD bond length | 0.012 |
RMSD bond angle | 1.565 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER (1.3.3) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 112.509 | 2.640 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.111 | 0.627 |
Total number of observations | 124042 | 18310 |
Number of reflections | 25152 | |
<I/σ(I)> | 12.8 | 1.1 |
Completeness [%] | 99.6 | 100 |
Redundancy | 4.9 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | 1.2M NaCl, 50mM MES, 50mM Na/K Phosphate, 10mM BME, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |