4ZXT

Complex of ERK2 with catechol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	48.588, 69.341, 59.589
Unit cell angles	90.00, 108.76, 90.00

Refinement procedure

Resolution	43.765 - 2.000
R-factor	0.1546
Rwork	0.153
R-free	0.18340
RMSD bond length	0.012
RMSD bond angle	1.329
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.000
Number of reflections	25363
<I/σ(I)>	28.9
Completeness [%]	99.7
Redundancy	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.1-1.3 M ammonium sulfate, 2% PEG500 MME, 0.1 M HEPES/NaOH, crystals soaked in precipitant solution containing 2.5 mM catechol in 2.5% DMSO for one week