6T86

Urocanate reductase in complex with FAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 6 2 2
Unit cell lengths	159.786, 159.786, 75.491
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.126 - 2.560
R-factor	0.1775
Rwork	0.175
R-free	0.23160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d4c
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.15.2-3472)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.130	46.130	2.670
High resolution limit [Å]	2.560	8.870	2.560
Rmerge	0.175	0.094	0.650
Rmeas	0.179	0.096	0.710
Rpim	0.038	0.020	0.274
Total number of observations	346148	11226	12206
Number of reflections	18422	537	1973
<I/σ(I)>	15.3	27.3	2.6
Completeness [%]	98.1	99.3	89.1
Redundancy	18.8	20.9	6.2
CC(1/2)	0.996	0.998	0.864

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1 M Tris pH 8.5 2 M (NH4)2SO4 5% xylitol