4TVQ

CCM3 in complex with CCM2 LD-like motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2011-10-29
Detector	ADSC QUANTUM 315
Wavelength(s)	1.1000
Spacegroup name	P 21 21 21
Unit cell lengths	61.855, 113.552, 120.034
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.490 - 2.800
R-factor	0.241
Rwork	0.239
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3l8i
RMSD bond length	0.002
RMSD bond angle	0.583
Data reduction software	HKL-2000 (2000.0.98.705a)
Data scaling software	HKL-2000 (2000.0.98.705a)
Phasing software	PHASER (ccp4-6.4.0)
Refinement software	PHENIX ((PHENIX.REFINE: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.107	0.937
Number of reflections	130452
<I/σ(I)>	16	1.654
Completeness [%]	99.0	97.5
Redundancy	6.2	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	15-20% PEG3350, 0.1-0.2M POTASSIUM FLUORIDE, PH 7.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K