5Y7Z

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	2014-07-22
Detector	RAYONIX MX-225
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	76.353, 85.513, 149.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.251 - 2.804
R-factor	0.2355
Rwork	0.233
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4c57
RMSD bond length	0.004
RMSD bond angle	1.044
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1-2575_743))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	23845	1587
<I/σ(I)>	5.3	1.46
Completeness [%]	97.0	98.6
Redundancy	3.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.17 M ammonium sulfate, 0.085 M sodium cacodylate trihydrate (pH 6.5), 25.5% PEG 8000, 15% glycerol