2V02

Recombinant vertebrate calmodulin complexed with Ba

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	24.410, 29.320, 53.320
Unit cell angles	89.84, 85.68, 82.80

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.246
Rwork	0.243
R-free	0.29400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1up5
RMSD bond length	0.007
RMSD bond angle	0.964
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.050	0.090
Number of reflections	6993
<I/σ(I)>	12.2	8.1
Completeness [%]	94.1	95.7
Redundancy	2.1	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4		40-50% MPD, PH4