8EQH

The crystal structure of 14-3-3 Beta containing 3-nitrotyrosine at position Y213

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	96
Detector technology	PIXEL
Collection date	2019-12-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97
Spacegroup name	C 1 2 1
Unit cell lengths	85.290, 115.030, 79.490
Unit cell angles	90.00, 119.54, 90.00

Refinement procedure

Resolution	44.220 - 1.900
R-factor	0.1891
Rwork	0.188
R-free	0.21850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bq0
RMSD bond length	0.005
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.220	1.950
High resolution limit [Å]	1.900	1.900
Number of reflections	52427	3903
<I/σ(I)>	16.48
Completeness [%]	99.7	99.5
Redundancy	26.3
CC(1/2)	1.000	0.197

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20%-27% PEG 3350, +/- 50 mM MgCl2, 100 mM Bis-Tris pH 5.5-6.5