6QG4

Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidine inhibitor 1h

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-03-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	60.200, 67.000, 86.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.050 - 2.300
R-factor	0.2365
Rwork	0.234
R-free	0.26910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.002
RMSD bond angle	0.491
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.050	2.400
High resolution limit [Å]	2.300	2.300
Rmeas	0.070	1.250
Number of reflections	16030	1885
<I/σ(I)>	21.77	2.28
Completeness [%]	100.0	100
Redundancy	13.05	12.79
CC(1/2)	0.990	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M Sodiumcitrate 0.2% PEG3350