3O2M
Crystal Structure of JNK1-alpha1 isoform complex with a biaryl tetrazol (A-82118)
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 | 2004-11-04 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 158.379, 158.379, 123.959 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.880 - 2.700 |
R-factor | 0.233 |
Rwork | 0.233 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.600 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.700 |
Number of reflections | 46583 |
Completeness [%] | 94.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 277 | Hanging drop : 2 ul of 10 mg/ml protein plus 2 ul of well solution Well solution : 3.0 M ammonium sulfate, 10 % glycerol Co-crystallization : compounds in DMSO added to the protein solution (0.62 mM compound with protein concentration of 9 mg/ml) more than 1 hour incubation on ice, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |