9SXM

Crystal structure of ERK2 in complex with a ligand

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97623
Spacegroup name	P 1 21 1
Unit cell lengths	48.609, 69.730, 59.609
Unit cell angles	90.00, 109.00, 90.00

Refinement procedure

Resolution	45.960 - 1.420
R-factor	0.1602
Rwork	0.158
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.024
RMSD bond angle	1.842
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.960	1.470
High resolution limit [Å]	1.420	1.420
Rmerge	0.061	0.641
Rmeas	0.069	0.734
Rpim	0.032	0.349
Total number of observations	302405	29143
Number of reflections	70507	6889
<I/σ(I)>	11.5	2
Completeness [%]	99.4
Redundancy	4.3	4.2
CC(1/2)	0.996	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	PEG MME 2000, 0.1M MES pH 6.5, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol