6L4I

Monomeric structure of monellin loop1 mutant with QEPKG 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	2019-05-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.548
Spacegroup name	P 1 21 1
Unit cell lengths	29.049, 58.322, 45.183
Unit cell angles	90.00, 91.99, 90.00

Refinement procedure

Resolution	35.705 - 2.200
R-factor	0.1816
Rwork	0.178
R-free	0.24710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9a
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	MOLREP
Refinement software	PHENIX (1.152)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.160	45.160	2.270
High resolution limit [Å]	2.200	9.070	2.200
Rmerge	0.053	0.041	0.118
Rmeas	0.059	0.047	0.136
Rpim	0.026	0.022	0.066
Total number of observations	37427	538	2338
Number of reflections	7620	116	606
<I/σ(I)>	21.8	29.7	11.4
Completeness [%]	98.6	98.6	91.1
Redundancy	4.9	4.6	3.9
CC(1/2)	0.998	0.999	0.992

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.1	293	20% PEG 3350, 0.2M Ammonium citrate dibasic