6IQN
Crystal structure of TrkA kinase with ligand
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 90.838, 90.838, 197.107 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 66.790 - 2.540 |
R-factor | 0.22793 |
Rwork | 0.225 |
R-free | 0.28737 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5h3q |
RMSD bond length | 0.020 |
RMSD bond angle | 1.948 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 66.870 | 66.870 | 2.610 |
High resolution limit [Å] | 2.540 | 11.360 | 2.540 |
Rmerge | 0.348 | 0.052 | 2.872 |
Rmeas | 0.363 | 0.055 | 3.029 |
Rpim | 0.103 | 0.017 | 0.951 |
Number of reflections | 28231 | 397 | 2045 |
<I/σ(I)> | 7 | ||
Completeness [%] | 100.0 | 99.4 | 99.9 |
Redundancy | 12.1 | 10 | 9.8 |
CC(1/2) | 0.994 | 0.998 | 0.563 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M MES pH6.5, 18% PEG 8000 |