6QHR

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

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	2014-10-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.00001
Spacegroup name	P 21 21 21
Unit cell lengths	62.100, 69.000, 84.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.159 - 2.520
R-factor	0.2409
Rwork	0.237
R-free	0.29380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.003
RMSD bond angle	0.687
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]	46.159	2.500
High resolution limit [Å]	2.400	2.400
Rmeas	0.420	0.960
Number of reflections	14025	1642
<I/σ(I)>	4.82	2.42
Completeness [%]	94.8	98.3
Redundancy	12.5	12.6
CC(1/2)	0.912	0.900

Crystallization Conditions

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