7QDA

Crystal structure of CalpL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-05
Detector	DECTRIS EIGER X 4M
Wavelength(s)	0.9795
Spacegroup name	P 32 2 1
Unit cell lengths	68.896, 68.896, 255.379
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.100 - 2.100
R-factor	0.1943
Rwork	0.193
R-free	0.22760
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.567
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.100	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.054	0.340
Number of reflections	41843	3732
<I/σ(I)>	23.2
Completeness [%]	99.0	90.28
Redundancy	2	2
CC(1/2)	0.995	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1 M Tris-Cl pH 8.0, 38.8 % PEG 400, 0.29 M Li2SO4