7MN4

CmcB E35G mutant from Type II Cut MCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-18
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	67.390, 62.720, 67.390
Unit cell angles	90.00, 119.95, 90.00

Refinement procedure

Resolution	58.390 - 1.800
R-factor	0.2041
Rwork	0.200
R-free	0.23980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000255588
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.18.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.390	58.390	1.840
High resolution limit [Å]	1.800	8.030	1.800
Rmerge	0.084	0.039	0.539
Rmeas	0.093	0.044	0.597
Total number of observations	233088
Number of reflections	44058	517	3074
<I/σ(I)>	9.05	25.32	2.07
Completeness [%]	96.4	91.5	90.3
Redundancy	5.29	5.054	5.063
CC(1/2)	0.998	0.999	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.2 M Magnesium choloride, 0.1 M Sodium HEPES pH 7.5, 30% PEG 400