8TM8

Monomer structure of monellin loop1 mutant (YENKG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU R-AXIS IV
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2020-03-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	29.139, 58.789, 45.210
Unit cell angles	90.00, 91.91, 90.00

Refinement procedure

Resolution	45.180 - 2.260
R-factor	0.1986
Rwork	0.192
R-free	0.26080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.768
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18_3845: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.180	2.330
High resolution limit [Å]	2.250	2.260
Number of reflections	7206	7206
<I/σ(I)>	17.4
Completeness [%]	99.6	92.8
Redundancy	7
CC(1/2)	0.997	0.985

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293	2.0M Ammonium sulfate, 0.2M potassium sodium tartarate tetrahydrate, 0.1M sodium citrate pH5.6