6WAJ

Crystal structure of the UBL domain of human NLE1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 61 2 2
Unit cell lengths	35.546, 35.546, 205.994
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.330 - 1.900
R-factor	0.2491
Rwork	0.248
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5dtc
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	41.200	41.200	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.067	0.050	0.880
Rmeas	0.069	0.051	0.903
Rpim	0.016	0.013	0.196
Total number of observations	132701	1251	8893
Number of reflections	6917	105	428
<I/σ(I)>	21.7	41.4	3.2
Completeness [%]	100.0	99.8	100
Redundancy	19.2	11.9	20.8
CC(1/2)	0.999	0.999	0.930

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	2.5 M ammonium sulfate, 0.1 M Tris