6FR1

Crystal structure of ERK2 in complex with an adenosine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-11-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91840
Spacegroup name	P 1 21 1
Unit cell lengths	48.503, 69.471, 59.377
Unit cell angles	90.00, 108.41, 90.00

Refinement procedure

Resolution	46.020 - 1.561
R-factor	0.1539
Rwork	0.151
R-free	0.19940
Data reduction software	XDS
Data scaling software	SCALA (0.5.15)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.050	46.050	1.620
High resolution limit [Å]	1.560	6.050	1.560
Rmerge	0.045	0.030	0.414
Rmeas	0.056	0.037	0.549
Rpim	0.032	0.022	0.355
Total number of observations	123968
Number of reflections	48515	892	3148
<I/σ(I)>	11.4
Completeness [%]	91.5	93.8	61
Redundancy	2.6	2.7	1.8
CC(1/2)	0.998	0.997	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	291	PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol, 0.002M magnesium sulfate