3UCW

Structure of MG2+ bound N-Terminal domain of Calmodulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.075000
Spacegroup name	P 1
Unit cell lengths	34.435, 43.040, 53.689
Unit cell angles	68.44, 88.62, 79.44

Refinement procedure

Resolution	39.320 - 1.760
R-factor	0.198
Rwork	0.196
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.877
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX (1.7.2_869)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.820
High resolution limit [Å]	1.760	3.790	1.760
Rmerge	0.071	0.058	0.404
Number of reflections	26501
<I/σ(I)>	15.6
Completeness [%]	95.6	98.6	87.5
Redundancy	4	5.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	20MM TRIS CACODYLATE, 32% PEG8000, 25MM MGAC, 1MM EGTA, 50MM KCL, 25% ETHYLENE GLYCOL, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K