2JLE
Novel indazole nnrtis created using molecular template hybridization based on crystallographic overlays
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Temperature [K] | 100 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 117.200, 154.600, 155.000 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.130 - 2.900 |
| R-factor | 0.2674 |
| Rwork | 0.261 |
| R-free | 0.35120 |
| Structure solution method | OTHER |
| Refinement software | BUSTER-TNT |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 29.000 |
| High resolution limit [Å] | 2.900 |
| Rmerge | 0.080 |
| Number of reflections | 30525 |
| Completeness [%] | 96.0 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
