4Y5O

CCM2 HHD in complex with MEKK3 NPB1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97914
Spacegroup name	P 1 21 1
Unit cell lengths	43.310, 45.349, 61.533
Unit cell angles	90.00, 94.95, 90.00

Refinement procedure

Resolution	36.811 - 2.350
R-factor	0.2087
Rwork	0.207
R-free	0.23230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fqn 2o2v
RMSD bond length	0.007
RMSD bond angle	1.018
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.430
High resolution limit [Å]	2.350	5.060	2.350
Rmerge	0.115	0.062	0.688
Total number of observations	57461
Number of reflections	10025
<I/σ(I)>	11
Completeness [%]	97.6	95.7	98.7
Redundancy	5.7	6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M potassium phosphate and 20% PEG 3350