4KB7
HCV NS5B GT1B N316Y with CMPD 32
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.031, 106.616, 126.515 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.530 - 1.850 |
| R-factor | 0.2101 |
| Rwork | 0.208 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.017 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 126.515 | 126.515 | 1.910 |
| High resolution limit [Å] | 1.811 | 5.730 | 1.811 |
| Rmerge | 0.069 | 0.031 | 0.448 |
| Total number of observations | 24567 | 21662 | |
| Number of reflections | 95243 | ||
| <I/σ(I)> | 15.9 | 19.5 | 1.8 |
| Completeness [%] | 89.6 | 99.8 | 52.6 |
| Redundancy | 6.2 | 6.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M citrate pH5.0, 17% PEG4000, 10% glycerol, vapor diffusion, hanging drop, temperature 298K |
