1WBU
Fragment based lead discovery using crystallography
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MSC |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 100.035, 32.604, 72.321 |
Unit cell angles | 90.00, 90.70, 90.00 |
Refinement procedure
Resolution | 19.000 - 1.900 |
R-factor | 0.2069 |
Rwork | 0.207 |
R-free | 0.26960 |
Structure solution method | OTHER |
RMSD bond length | 0.004 |
RMSD bond angle | 0.816 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 19.000 |
High resolution limit [Å] | 1.800 |
Rmerge | 0.040 |
Number of reflections | 20393 |
Completeness [%] | 100.0 |
Redundancy | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |