7T2Q

PEGylated Calmodulin-1 (K148U)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953736
Spacegroup name	C 2 2 21
Unit cell lengths	51.051, 56.347, 116.606
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.830 - 1.950
R-factor	0.2228
Rwork	0.221
R-free	0.25770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eeb
RMSD bond length	0.004
RMSD bond angle	0.684
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.870	1.890
High resolution limit [Å]	1.850	1.850
Number of reflections	14766	900
<I/σ(I)>	12.6
Completeness [%]	99.9
Redundancy	13.4
CC(1/2)	0.998	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.2 M Magnesium chloride hexahydrate, 0.1 M Tris pH 8.5, 20% w/v PEG 8000