4KAI
HCV NS5B GT1B N316 with GSK5852A
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 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.708, 107.451, 126.382 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.860 - 2.300 |
R-factor | 0.201 |
Rwork | 0.198 |
R-free | 0.24000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.968 |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 126.382 | 2.310 |
High resolution limit [Å] | 2.191 | 2.191 |
Rmerge | 0.105 | 0.496 |
Number of reflections | 61392 | |
<I/σ(I)> | 14.2 | 1.6 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 7.2 | 7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 298 | 0.1M citrate pH5.0, 17% PEG4000, 10% glycerol, vapor diffusion, hanging drop, temperature 298K |