3DV3

MEK1 with PF-04622664 Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-BM
Synchrotron site	APS
Beamline	17-BM
Detector technology	CCD
Detector	MAR CCD 165 mm
Spacegroup name	P 62
Unit cell lengths	81.596, 81.596, 129.966
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.830 - 2.300
R-factor	0.184
Rwork	0.182
R-free	0.22100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.900
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.330
High resolution limit [Å]	2.250	4.850	2.250
Rmerge	0.049	0.038	0.777
Number of reflections	23200
<I/σ(I)>	12.2
Completeness [%]	99.2	92.6	100
Redundancy	7.6	7.3	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP			VAPOR DIFFUSION, HANGING DROP