4ZSJ

MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	93.040, 93.040, 110.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.200 - 2.480
R-factor	0.1701
Rwork	0.167
R-free	0.23030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	in-house Erk5/MAPK7 structure
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.200	2.540
High resolution limit [Å]	2.480	2.480
Rmerge	0.110
Number of reflections	17842
<I/σ(I)>	19.1	3.5
Completeness [%]	99.9	99.8
Redundancy	10.8	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25	293	4-6 % w/v PEG 6000, 0.1 M MES, 5 mM DTT