6JOJ

Crystal structure of PDGFRA T674I in complex with crenolanib by soaking

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97853
Spacegroup name	P 31 2 1
Unit cell lengths	100.556, 100.556, 110.987
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.799 - 2.600
R-factor	0.2241
Rwork	0.224
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5k5x
RMSD bond length	0.011
RMSD bond angle	1.490
Data reduction software	DENZO
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((dev_2400: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.740
High resolution limit [Å]	2.600	2.600
Rpim	0.057
Number of reflections	19958
<I/σ(I)>	17.4
Completeness [%]	97.7
Redundancy	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M HEPES pH6.9, 1.6M (NH4)2SO4, 0.1M NaCl