7TNH

Crystal structure of CSF1R kinase domain in complex with DP-6233

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	2012-08-10
Detector	RAYONIX MX-225
Wavelength(s)	0.97857
Spacegroup name	H 3
Unit cell lengths	81.080, 81.080, 146.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.570 - 2.700
R-factor	0.217
Rwork	0.215
R-free	0.26900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2i0y
RMSD bond length	0.008
RMSD bond angle	1.234
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.570	40.570
High resolution limit [Å]	2.700	2.700
Rmerge	0.044	0.577
Rmeas	0.053	0.018
Total number of observations	31405
Number of reflections	9752	99
<I/σ(I)>	19.95	2
Completeness [%]	98.8	99.3
Redundancy	3.2	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	295	CSF1R at 10.7 mg/mL in 50 mM Tris pH 7.5, 200 mM NaCl, 5% glycerol with 5-fold excess of arylamide compound against 10% PEG 10,000, 0.1 M MES pH 6.5 and 0.1 M magnesium acetate soaked over two nights with 1 mM DP-6233 and 20% ethylene glycol as cryo