2V01

Recombinant vertebrate calmodulin complexed with Pb

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	24.580, 29.950, 53.610
Unit cell angles	88.57, 87.03, 82.95

Refinement procedure

Resolution	20.000 - 2.150
R-factor	0.191
Rwork	0.188
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1up5
RMSD bond length	0.011
RMSD bond angle	1.298
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	2.250
High resolution limit [Å]	2.150	2.150
Rmerge	0.080	0.250
Number of reflections	7838
<I/σ(I)>	8.2	4.3
Completeness [%]	95.2	90.2
Redundancy	2.2	2.2

Crystallization Conditions

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