2QD9
P38 Alpha Map Kinase inhibitor based on heterobicyclic scaffolds
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-04-13 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.650, 74.360, 78.980 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.070 - 1.700 |
R-factor | 0.25221 |
Rwork | 0.251 |
R-free | 0.28179 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.024 |
RMSD bond angle | 2.134 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.040 | 0.613 |
Number of reflections | 41971 | |
<I/σ(I)> | 46.2 | 3 |
Completeness [%] | 97.8 | 97.6 |
Redundancy | 7.3 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |