7PVN

Crystal Structure of Human UBA6 in Complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.9762
Spacegroup name	C 1 2 1
Unit cell lengths	123.949, 113.748, 183.537
Unit cell angles	90.00, 96.49, 90.00

Refinement procedure

Resolution	19.980 - 2.710
R-factor	0.2341
Rwork	0.233
R-free	0.26170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cmm
RMSD bond length	0.005
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.710	2.710
Rmerge	0.294	2.570
Rpim	0.123	1.158
Number of reflections	49253	986
<I/σ(I)>	6	0.92
Completeness [%]	72.5	21.8
Redundancy	6.66	5.56
CC(1/2)	0.985	0.170

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M Na-cacodylate, 0.16 M Ca-acetate, 15% PEG 8000 and 16% Glycerol