9AZJ

Structure of ubiquitinated NEMO UBAN K285C-Ub G76C bound to HOIP NZF1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-01-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97950
Spacegroup name	P 21 21 21
Unit cell lengths	66.828, 101.447, 144.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.720 - 3.320
R-factor	0.2431
Rwork	0.241
R-free	0.28470
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.443
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.810	3.590
High resolution limit [Å]	3.320	3.320
Rmerge	0.104	1.077
Rmeas	0.115	1.180
Rpim	0.048	0.475
Total number of observations	84793	17542
Number of reflections	15095	3039
<I/σ(I)>	9.1	2
Completeness [%]	99.8
Redundancy	5.6	5.8
CC(1/2)	0.990	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.6	293	150nl protein + 50 nl mother liquor: 0.1 M Tris/Bicine pH 8.6, 24.2% PEG 500 MME, 8% PEG 20K, 0.03 M each of NaI, NaBr, and NaF. Cryoprotected in mother liquor containing 20% glycerol