4A1T
Co-Complex of the of NS3-4A protease with the inhibitory peptide CP5- 46-A (in-House data)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-29 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 93.250, 93.250, 83.010 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.710 - 2.050 |
R-factor | 0.19792 |
Rwork | 0.195 |
R-free | 0.24499 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1dxp |
RMSD bond length | 0.010 |
RMSD bond angle | 1.394 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.700 | 2.100 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.120 | 0.600 |
Number of reflections | 25758 | |
<I/σ(I)> | 14.6 | 3.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.9 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.1 M MES PH 6.0 OR 0.1 M NACITRATE PH 5.1 AND 2.2 M KCL, 5% ISOPROPANOL. |