6UVB

Crystal structure of far-red-light absorbing cyanobacteriochrome at 100K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9787
Spacegroup name	P 42 2 2
Unit cell lengths	108.788, 108.788, 68.697
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.703 - 3.000
R-factor	0.2389
Rwork	0.236
R-free	0.28970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4glq
RMSD bond length	0.012
RMSD bond angle	1.493
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.080	0.039	1.688
Rmeas	0.087	0.042	1.834
Rpim	0.033	0.016	0.705
Total number of observations	63276
Number of reflections	9394	536	456
<I/σ(I)>	10.4
Completeness [%]	98.9	97.1	100
Redundancy	6.7	6.3	6.5
CC(1/2)		0.998	0.488

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	288	The protein solution (3 mg/ml) is mixed with the crystallization solution (17% PEG 10000, 0.1 M ammonium acetate, 0.1 M Bis-tris pH 5.5 with Yttrium(III) chloride as an additive) in a 1:1 ratio