6FJZ

Crystal structure of ERK2 in complex with an adenosine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-09
Detector	ADSC QUANTUM 210
Wavelength(s)	0.93340
Spacegroup name	P 1 21 1
Unit cell lengths	48.870, 70.960, 59.280
Unit cell angles	90.00, 108.97, 90.00

Refinement procedure

Resolution	35.480 - 1.864
R-factor	0.1741
Rwork	0.172
R-free	0.20690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyz
Data reduction software	iMOSFLM
Data scaling software	SCALA (3.2.19)
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.489	35.489	1.960
High resolution limit [Å]	1.864	5.890	1.864
Rmerge	0.033	0.020	0.243
Rmeas	0.047	0.030	0.352
Rpim	0.027	0.019	0.210
Total number of observations	91971	2684	12800
Number of reflections	31857	1054	4483
<I/σ(I)>	10.4	22.7	2.3
Completeness [%]	99.4	99.4	96
Redundancy	2.9	2.5	2.9

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