2YN8
ephB4 kinase domain inhibitor complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-07 |
Detector | RIGAKU CCD |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.635, 89.527, 81.087 |
Unit cell angles | 90.00, 103.21, 90.00 |
Refinement procedure
Resolution | 30.890 - 2.110 |
R-factor | 0.1972 |
Rwork | 0.195 |
R-free | 0.23440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 89.530 | 2.230 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.100 | 0.400 |
Number of reflections | 40603 | |
<I/σ(I)> | 8.7 | 2.5 |
Completeness [%] | 98.4 | 94.2 |
Redundancy | 3.4 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |