6L4J

Monomer structure of monellin loop1 mutant (YEPKG)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	80
Detector technology	IMAGE PLATE
Collection date	2019-05-22
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5478
Spacegroup name	P 1 21 1
Unit cell lengths	30.830, 64.250, 45.640
Unit cell angles	90.00, 102.87, 90.00

Refinement procedure

Resolution	36.579 - 2.300
R-factor	0.1691
Rwork	0.166
R-free	0.23860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9a
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	PHENIX (1.15.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.580	36.580	2.380
High resolution limit [Å]	2.300	8.910	2.300
Rmerge	0.075	0.074	0.122
Rmeas	0.091	0.091	0.148
Rpim	0.052	0.053	0.083
Total number of observations	22730	426	2308
Number of reflections	7502	143	769
<I/σ(I)>	11.5	16	7
Completeness [%]	96.2	98.1	100
Redundancy	3	3	3
CC(1/2)	0.981	0.971	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M carboxylic acid, 0.1M Imidazole, MES monohydrate