4ZSL

MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-08-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.950
Spacegroup name	P 41 21 2
Unit cell lengths	92.687, 92.687, 111.042
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.200 - 2.250
R-factor	0.1788
Rwork	0.177
R-free	0.21920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished in-house Erk5/MAPK7 structure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]	47.630	2.320
High resolution limit [Å]	2.250	2.250
Rmerge	0.089
Number of reflections	23699
<I/σ(I)>	17.5	1.9
Completeness [%]	99.8	98.1
Redundancy	7.9	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.25	297	4-6 % w/v PEG 6000, 0.1 M MES, 5 mM DTT