8EQ8

The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y130

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	96
Detector technology	PIXEL
Collection date	2019-04-01
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	52.400, 124.510, 55.230
Unit cell angles	90.00, 114.50, 90.00

Refinement procedure

Resolution	29.090 - 1.500
R-factor	0.1799
Rwork	0.178
R-free	0.20490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bq0
RMSD bond length	0.011
RMSD bond angle	1.000
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.090	1.550
High resolution limit [Å]	1.500	1.500
Number of reflections	102662	9538
<I/σ(I)>	14.78
Completeness [%]	99.8	99.9
Redundancy	38.2
CC(1/2)	0.999	0.179

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20%-30% PEG 550 MME, 50 mM MgCl2, 100 mM HEPES pH 7-8.3