2EXC
Inhibitor complex of JNK3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU300 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2002-07-11 |
Detector | MARRESEARCH |
Wavelength(s) | 1.54179 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.578, 72.231, 106.155 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.760 - 2.750 |
R-factor | 0.213 |
Rwork | 0.209 |
R-free | 0.31400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.571 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNS |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 59.760 | 2.900 |
High resolution limit [Å] | 2.750 | 2.750 |
Rmerge | 0.117 | 0.381 |
Number of reflections | 10184 | |
<I/σ(I)> | 5.7 | 2 |
Completeness [%] | 98.6 | 98.1 |
Redundancy | 2.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 298K |