5Y80

Complex structure of cyclin G-associated kinase with gefitinib

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL32XU
Synchrotron site	SPring-8
Beamline	BL32XU
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-31
Detector	RAYONIX MX-225
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	70.331, 73.870, 95.311
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.924 - 2.500
R-factor	0.2324
Rwork	0.230
R-free	0.28190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c57
RMSD bond length	0.005
RMSD bond angle	1.094
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1-2575_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.700	2.600
High resolution limit [Å]	2.500	2.500
Number of reflections	17801
<I/σ(I)>	11.4	4.3
Completeness [%]	100.0	100
Redundancy	9.3	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M ammonium sulfate,0.1 M sodium cacodylate trihydrate (pH 6.5), 15% PEG 8000