7Q02

Zn-free structure of lipocalin-like Milk protein, inspired from Diploptera punctata, expressed in Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	33.362, 47.692, 97.612
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.810 - 1.450
R-factor	0.1519
Rwork	0.150
R-free	0.19450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nyq
Data reduction software	XDS
Data scaling software	Aimless (0.7.7)
Phasing software	PHENIX
Refinement software	PHENIX (1.19_4092)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.810	48.810	1.480
High resolution limit [Å]	1.450	7.810	1.450
Rmerge	0.107	0.052	0.771
Rmeas	0.117	0.058	0.853
Rpim	0.046	0.025	0.359
Total number of observations	180115	1243	7746
Number of reflections	28438	236	1407
<I/σ(I)>	10.7	25.1	2.1
Completeness [%]	100.0	99.9	100
Redundancy	6.3	5.3	5.5
CC(1/2)	0.997	0.998	0.758

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	290	0.1 M Sodium Acetate, HCl, pH 4.5; 25 % (w/v) PEG 3350