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. |
