7EUA

X-ray crystal structure of a Monellin deletion construct carrying the P93A mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2019-06-29
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	26.741, 64.940, 26.741
Unit cell angles	90.00, 109.07, 90.00

Refinement procedure

Resolution	32.470 - 2.430
R-factor	0.2072
Rwork	0.205
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o9u
Data reduction software	MOSFLM
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX
Refinement software	PHENIX (1.18)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.940	64.940	2.520
High resolution limit [Å]	2.430	9.090	2.430
Rmerge	0.076	0.050	0.212
Rmeas	0.083	0.055	0.233
Rpim	0.033	0.022	0.096
Total number of observations	18402	384	1714
Number of reflections	3068	64	304
<I/σ(I)>	14.3	22.4	6
Completeness [%]	93.9	94.8	94.7
Redundancy	6	6	5.6
CC(1/2)	0.997	0.999	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Ammonium sulfate, 30% PEG 8K