7MMX

CutN from Type I Cut MCP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	C 1 2 1
Unit cell lengths	107.500, 49.660, 92.410
Unit cell angles	90.00, 93.83, 90.00

Refinement procedure

Resolution	92.200 - 1.900
R-factor	0.2144
Rwork	0.212
R-free	0.23560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4axj
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.2)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.200	92.200	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.071	0.040	0.709
Rmeas	0.078	0.043	0.794
Total number of observations	249994
Number of reflections	38026	468	2491
<I/σ(I)>	14.97	37.32	2.25
Completeness [%]	98.5	100	89
Redundancy	6.574	6.423	4.851
CC(1/2)	0.999	0.999	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	1.26 M Ammonium sulfate, 0.1 M HEPES/ Sodium hydroxide pH 7.5