7LWC

Goat beta-lactoglobulin mutant Q59A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	110
Detector technology	PIXEL
Collection date	2020-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953
Spacegroup name	P 2 21 21
Unit cell lengths	35.234, 58.155, 144.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.271 - 3.000
R-factor	0.2387
Rwork	0.237
R-free	0.27600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tlj
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.271	2.820
High resolution limit [Å]	2.690	2.690
Rmerge	0.459	1.403
Rmeas	0.479
Rpim	0.135
Number of reflections	29406	1060
<I/σ(I)>	4.2
Completeness [%]	98.8
Redundancy	11
CC(1/2)	0.992	0.814

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	299	0.2 M Ammonium sulfate, 0.1 M Bis-Tris (pH 6.5), 25 % w/v PEG 3350