8E8V

Structure of the short LOR domain of human AASS bound to N-ethylsuccinimide

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	2022-06-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92010
Spacegroup name	P 1 21 1
Unit cell lengths	77.099, 155.963, 78.352
Unit cell angles	90.00, 100.20, 90.00

Refinement procedure

Resolution	47.490 - 2.450
R-factor	0.2351
Rwork	0.234
R-free	0.25780
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]	47.490	47.490	2.510
High resolution limit [Å]	2.450	11.490	2.450
Rmerge	0.148	0.069	2.378
Rmeas	0.164	0.077	2.644
Rpim	0.071	0.033	1.144
Total number of observations	350595	3412	23252
Number of reflections	66842	670	4452
<I/σ(I)>	6.5	19.1	0.8
Completeness [%]	99.9	98.7	99.2
Redundancy	5.2	5.1	5.2
CC(1/2)	0.994	0.992	0.428

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	300	0.2 M NaCl, 0.1M HEPES, 25% PEG 4000