4ZSG

MITOGEN ACTIVATED PROTEIN KINASE 7 IN COMPLEX WITH INHIBITOR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.972
Spacegroup name	P 41 21 2
Unit cell lengths	92.530, 92.530, 107.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.790
R-factor	0.2057
Rwork	0.204
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	unpublished in-house Erk5/MAPK7 structure
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.790	1.790
Rmerge	0.055
Number of reflections	44410
<I/σ(I)>	20.9	1.7
Completeness [%]	99.4	98.7
Redundancy	10.6	10.8

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