7RIA

Griffithsin variant Y28A/Y68A/Y110A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS
Temperature [K]	95
Detector technology	CCD
Collection date	2018-05-01
Detector	RIGAKU SATURN A200
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	43.110, 50.196, 98.758
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.270 - 1.800
R-factor	0.1715
Rwork	0.167
R-free	0.21720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2guc
RMSD bond length	0.006
RMSD bond angle	0.876
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]	27.270	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.103	0.086
Number of reflections	20321	905
<I/σ(I)>	20	1.2
Completeness [%]	99.2	90.2
Redundancy	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M bis-tris buffer, pH 5.5, 2.0 M ammonium sulfate