8F0Y

Lipocalin-like Milk protein-1

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	2022-07-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0332
Spacegroup name	P 1
Unit cell lengths	32.672, 33.038, 38.640
Unit cell angles	100.77, 99.68, 103.60

Refinement procedure

Resolution	37.012 - 2.100
Rwork	0.196
R-free	0.25230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nyq
RMSD bond length	0.015
RMSD bond angle	2.597
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0352)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.020	37.010	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.112	0.068	0.620
Rmeas	0.158	0.096	0.877
Rpim	0.112	0.068	0.620
Number of reflections	8498	113	704
<I/σ(I)>	3.5
Completeness [%]	96.7	96.7	95.4
Redundancy	2.6	2.6	2.6
CC(1/2)	0.980	0.992	0.483

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	293	0.2M Potassium Nitrate, pH 6.9, 20% PEG 3350