6IG8
Crystal structure of CSF-1R kinase domain with a small molecular inhibitor, JTE-952
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 62.520, 62.520, 185.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 59.240 - 1.800 |
R-factor | 0.1579 |
Rwork | 0.156 |
R-free | 0.19220 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3lco |
RMSD bond length | 0.015 |
RMSD bond angle | 1.704 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.16) |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 59.240 | 62.520 | 1.850 |
High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
Rmerge | 0.024 | 0.524 | |
Rmeas | 0.090 | 0.027 | 0.592 |
Rpim | 0.031 | 0.010 | 0.200 |
Number of reflections | 35007 | 471 | 2555 |
<I/σ(I)> | 18.8 | 23.4 | 1.4 |
Completeness [%] | 99.8 | 97.5 | 100 |
Redundancy | 8.3 | 6.7 | 8.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 277 | 11 mg/mL protein, 22.5-35% PEG 4000, 0.1M Tris-HCL pH 8.5, 0.2M MgCl2 |