6PY0

Crystal Structure of mouse Serum Amyloid A3 (SAA3) bound with Retinol

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	2017-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	53.242, 75.749, 89.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.726 - 2.204
R-factor	0.2196
Rwork	0.218
R-free	0.24940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.126
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.240
High resolution limit [Å]	2.200	5.970	2.200
Rmerge	0.053	0.038	0.826
Rmeas	0.057	0.041	0.911
Rpim	0.019	0.014	0.371
Total number of observations	155009
Number of reflections	18610	1044	870
<I/σ(I)>	9.3
Completeness [%]	98.7	98.8	95
Redundancy	8.3	8.3	5.2
CC(1/2)		0.999	0.644

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.2 M trisodium citrate, 0.1 M HEPES, pH 7.5, 6% PEG6000, 10% isopropanol