7WQG

Bovin Alpha-lactalbumin binding with zinc ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.987
Spacegroup name	P 3
Unit cell lengths	92.837, 92.837, 66.173
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.001 - 2.500
R-factor	0.1602
Rwork	0.144
R-free	0.22160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1f6s
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.001	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	22055	2227
<I/σ(I)>	27.2
Completeness [%]	99.8
Redundancy	3.58
CC(1/2)	0.992	0.979

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	2% PEG400, 100 mM Tris/HCl pH 8.5, 2 M Lithium sulfate, 5 mM Zinc chlorid