6OTS

Rat ERK2 E320K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	182.315, 41.948, 50.344
Unit cell angles	90.00, 105.86, 90.00

Refinement procedure

Resolution	43.844 - 2.100
R-factor	0.2333
Rwork	0.231
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2erk
RMSD bond length	0.003
RMSD bond angle	0.627
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Number of reflections	19252	568
<I/σ(I)>	23.3	1.7
Completeness [%]	88.5	53.1
Redundancy	4	3.3
CC(1/2)		0.630

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	7 mg/ml ERK2 E320K in 25 mM Tris-Cl, pH 7.5, 100 mM NaCl, 1 mM EDTA, 5 mM DTT was mixed with an equal volume of reservoir solution containing 28% (w/v) PEG1500 and 100 mM Tris-Cl, pH 8.0.