4KBI
HCV NS5B GT1B N316Y with CMPD 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-24 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.040, 106.450, 126.490 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.720 - 2.060 |
| R-factor | 0.21319 |
| Rwork | 0.211 |
| R-free | 0.25039 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.961 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.720 | 50.000 | 2.290 |
| High resolution limit [Å] | 2.060 | 6.100 | 2.250 |
| Rmerge | 0.104 | 0.055 | 0.469 |
| Number of reflections | 71514 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 97.1 | 99.6 | 89.7 |
| Redundancy | 6.5 | 6.7 | 6.2 |
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 |
