6QFT

Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b

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	2014-08-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.5
Spacegroup name	P 21 21 21
Unit cell lengths	60.400, 67.100, 85.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.235 - 2.700
R-factor	0.2396
Rwork	0.236
R-free	0.28690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2dyl
RMSD bond length	0.002
RMSD bond angle	0.656
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.235	2.800
High resolution limit [Å]	2.700	2.700
Rmeas	0.096	0.953
Number of reflections	9940	997
<I/σ(I)>	16.5	2.15
Completeness [%]	100.0	100
Redundancy	6.3	6.5
CC(1/2)	0.999	0.885

Crystallization Conditions

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