8CGC

Structure of CSF1R in complex with a pyrollopyrimidine (compound 23)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-06
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99187
Spacegroup name	H 3
Unit cell lengths	81.013, 81.013, 143.237
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	31.895 - 1.925
Rwork	0.152
R-free	0.20590
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	2i1m
RMSD bond length	0.007
RMSD bond angle	1.380
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.895	1.994
High resolution limit [Å]	1.925	1.925
Rmerge	0.061	0.451
Rmeas	0.071	0.536
Rpim	0.036	0.282
Number of reflections	25909	2572
<I/σ(I)>	10.7	2.6
Completeness [%]	97.6	98.2
Redundancy	3.6	3.3
CC(1/2)	0.997	0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.3 M DL-Malic acid pH 7.0, 23.0% w/v PEG 3350