7XIO

Crystal structure of TYR from Ralstonia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-07
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	H 3 2
Unit cell lengths	190.897, 190.897, 402.109
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.090 - 2.640
R-factor	0.1824
Rwork	0.181
R-free	0.20170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x3p
RMSD bond length	0.003
RMSD bond angle	0.622
Data reduction software	DIALS
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	152.900	2.900
High resolution limit [Å]	2.640	2.750
Rmerge	0.138	1.343
Rmeas	0.142
Rpim	0.045	0.313
Number of reflections	1386447	206653
<I/σ(I)>	82467
Completeness [%]	100.0
Redundancy	19.4
CC(1/2)	0.999	0.830

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	0.015M Magnesium acetate tetrahydrate,0.05M Sodium cacodylate trihydrate,pH 6.0,1.7M Ammonium sulfate