5LJN

Structure of the HOIP PUB domain bound to SPATA2 PIM peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 43
Unit cell lengths	89.040, 89.040, 53.563
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	62.960 - 2.701
R-factor	0.2352
Rwork	0.233
R-free	0.28050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oyk
RMSD bond length	0.002
RMSD bond angle	0.526
Data reduction software	DIALS
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	62.960	62.960	2.830
High resolution limit [Å]	2.700	8.960	2.700
Rmerge	0.080	0.022	0.710
Rmeas	0.098
Rpim	0.057
Total number of observations	31067
Number of reflections	11439
<I/σ(I)>	9.5
Completeness [%]	97.7	90.8	99.7
Redundancy	2.7	2.7	2.7
CC(1/2)	0.997	0.999	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.7-1.9 M (NH4)2SO4, 50 mM sodium cacodylate pH 6.4-7.0, 15 mM MgCl2 Protein:precipitant ratio; 1:2 200 nl drops