6QG7

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

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	2016-03-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	59.400, 65.800, 86.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.092 - 2.100
R-factor	0.2361
Rwork	0.234
R-free	0.26790
RMSD bond length	0.003
RMSD bond angle	0.701
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]	30.000	2.100
High resolution limit [Å]	2.000	2.000
Rmeas	0.129	0.859
Number of reflections	23272	3038
<I/σ(I)>	13.21	2.03
Completeness [%]	99.7	97.6
Redundancy	11.64	6.97
CC(1/2)	0.999	0.134

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2 M Sodiumcitrate 20% PEG3350