4CBG
Pestivirus NS3 helicase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2007-09-21 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 70.550, 168.360, 98.800 |
| Unit cell angles | 90.00, 98.52, 90.00 |
Refinement procedure
| Resolution | 49.520 - 2.820 |
| R-factor | 0.1681 |
| Rwork | 0.166 |
| R-free | 0.20490 |
| Structure solution method | MAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | BUSTER (2.13.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.570 | 2.890 |
| High resolution limit [Å] | 2.820 | 2.820 |
| Rmerge | 0.130 | 0.350 |
| Number of reflections | 402065 | |
| <I/σ(I)> | 16.2 | 2 |
| Completeness [%] | 91.5 | 65 |
| Redundancy | 8.1 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 0.1 M NA-CACODYLATE 0.2 M MAGNESIUM ACETATE 12% PEG 8000, pH 6.5 |
