4H3B
Crystal Structure of JNK3 in Complex with SAB Peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2011-01-17 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.17 |
Spacegroup name | P 31 |
Unit cell lengths | 84.520, 84.520, 127.250 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.700 - 2.080 |
R-factor | 0.187 |
Rwork | 0.186 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1jnk |
RMSD bond length | 0.008 |
RMSD bond angle | 1.123 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.7.1_743) |
Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 73.196 | 36.710 | 1.800 |
High resolution limit [Å] | 1.721 | 4.240 | 1.721 |
Number of reflections | 73519 | ||
<I/σ(I)> | 33.2 | ||
Completeness [%] | 99.6 | 99.1 | 55.2 |
Redundancy | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 294 | 0.2 M sodium chloride, 0.1 M Bis-Tris, 28-31% PEG3350, pH 5.5, VAPOR DIFFUSION, temperature 294.0K |