7BHG

Gene-engineered variant of FusionRed with Trp based chromophore - 2.1A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	46.846, 92.234, 57.997
Unit cell angles	90.00, 111.83, 90.00

Refinement procedure

Resolution	28.990 - 2.090
R-factor	0.1666
Rwork	0.163
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	FusionRed
RMSD bond length	0.017
RMSD bond angle	2.064
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.180
High resolution limit [Å]	2.090	4.520	2.100
Rmerge	0.066	0.046	0.362
Rmeas	0.077	0.054	0.438
Rpim	0.039	0.028	0.243
Number of reflections	26662	2728	2543
<I/σ(I)>	7.9
Completeness [%]	99.6	100	96.1
Redundancy	3.7	3.8	3
CC(1/2)		0.997	0.891

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2mkl of protein solution 20 mM Tris pH 8.0 200mM NaCl mixed with 2mkl of 0.2M NaCl, 0.1M Bis-Tris 6.5, 25% PEG3350