6L4N

Domain swapped dimer of Monellin loop1 mutant with QVPAG motif

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	80
Detector technology	IMAGE PLATE
Collection date	2019-05-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5478
Spacegroup name	P 21 21 21
Unit cell lengths	47.960, 47.960, 85.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.870 - 2.431
R-factor	0.1994
Rwork	0.196
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9a
Data reduction software	iMOSFLM
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]	41.872	41.870	2.520
High resolution limit [Å]	2.430	9.090	2.430
Rmerge	0.049	0.027	0.227
Rmeas	0.062	0.034	0.288
Rpim	0.037	0.020	0.174
Total number of observations		385	1747
Number of reflections	7283	144	755
<I/σ(I)>	11.1	21.5	3.3
Completeness [%]	93.4	85.6	94.1
Redundancy	2.5	2.7	2.3
CC(1/2)	0.995	0.997	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.8	293	20% PEG 3350, 200mM Sodium thiocyanate 7.0