6DAH

2.5 Angstrom crystal structure of the N97S CaM mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	59.117, 94.414, 60.977
Unit cell angles	90.00, 94.42, 90.00

Refinement procedure

Resolution	47.207 - 2.502
R-factor	0.2212
Rwork	0.218
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cll
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.207	47.207	2.650
High resolution limit [Å]	2.500	7.430	2.500
Rmeas	0.057		0.424
Number of reflections	43340		6911
<I/σ(I)>	14.23		2.43
Completeness [%]	95.4		93.6
Redundancy	1.81
CC(1/2)	0.999		0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	20% PEG3350, 0.1 M Bis-Tris, pH 6.5