6HH1
Structure of c-Kit with allosteric inhibitor 3G8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-19 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.976 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 65.614, 65.614, 159.004 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 25.320 - 2.250 |
R-factor | 0.208 |
Rwork | 0.204 |
R-free | 0.27340 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.896 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.270 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmeas | 0.130 | 0.800 |
Number of reflections | 21244 | 3110 |
<I/σ(I)> | 5.42 | 1.6 |
Completeness [%] | 97.7 | 99.81 |
Redundancy | 3.94 | 4.05 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 9.3 mg/mL protein in 250 mM NaCl, 25 mM Tris-HCl pH 7.4, 1 mM EDTA, 0.5 mM TCEP, 1.2 mM 3G8, 0.1% w/w V8 protease. 800 nL of protein was mixed with 800 nL of crystallization solution (0.1 M Tris-HCl pH 9.1, 1.5 M diammonium hydrogen phosphate) and incubated over 0.4 mL crystallization solution in 24 well VDX plates. Crystals were cryo-protected with 20% v/v ethylene glycol. |