6WLP

Crystal Structure of the ZTL light-state mimic G46S

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	80
Detector technology	PIXEL
Collection date	2016-11-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9773
Spacegroup name	I 21 3
Unit cell lengths	265.069, 265.069, 265.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.860 - 3.000
R-factor	0.1942
Rwork	0.193
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5svu
RMSD bond length	0.016
RMSD bond angle	1.601
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.860	3.050
High resolution limit [Å]	3.000	3.000
Rmerge	0.130
Number of reflections	61739	3080
<I/σ(I)>	2.95
Completeness [%]	99.9
Redundancy	5.4
CC(1/2)		0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.05 M TRIS pH 8.5, 2.0 M Ammonium sulfate