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 |