8E8U

Structure of the LOR domain of human AASS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-08-18
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	73.005, 131.944, 96.494
Unit cell angles	90.00, 100.72, 90.00

Refinement procedure

Resolution	47.405 - 2.650
R-factor	0.2801
Rwork	0.278
R-free	0.31940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8e8t
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.560	48.560	2.740
High resolution limit [Å]	2.650	10.600	2.650
Rmerge	0.407	0.146	2.385
Rmeas	0.446	0.159	2.614
Rpim	0.178	0.061	1.045
Total number of observations	280133	4484	26150
Number of reflections	50249	781	4674
<I/σ(I)>	2.7	6.7	0.8
Completeness [%]	96.4	92.8	97
Redundancy	5.6	5.7	5.6
CC(1/2)	0.974	0.986	0.431

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	300	0.1 M Magnesium Formate, 25 mM Calcium Acetate, 11% PEG 3350