9QQJ

ERK2 with an inhibitor

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-03
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9897
Spacegroup name	P 1 21 1
Unit cell lengths	48.737, 70.238, 60.293
Unit cell angles	90.00, 109.08, 90.00

Refinement procedure

Resolution	43.430 - 1.690
R-factor	0.1874
Rwork	0.186
R-free	0.22170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.884
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.430	1.750
High resolution limit [Å]	1.690	1.690
Number of reflections	42306	4175
<I/σ(I)>	17.98
Completeness [%]	99.0
Redundancy	3.2
CC(1/2)	0.999	0.844

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	26% PEG MME 2000, 0.1M MES, 0.1M ammonium sulfate, 0.02M beta-mercaptoethanol, pH 6.5