7MPV

CmcC 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
Unit cell lengths	50.600, 56.290, 92.030
Unit cell angles	96.31, 90.08, 98.55

Refinement procedure

Resolution	91.460 - 2.292
R-factor	0.2364
Rwork	0.233
R-free	0.26850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1000255588
RMSD bond length	0.005
RMSD bond angle	0.830
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.460	91.460	2.350
High resolution limit [Å]	2.290	10.250	2.290
Rmerge	0.077	0.036	0.632
Rmeas	0.090	0.042	0.744
Total number of observations	152490
Number of reflections	41777	437	2795
<I/σ(I)>	8.69	27.02	1.71
Completeness [%]	93.2	88.5	83.9
Redundancy	3.65	3.659	3.414
CC(1/2)	0.998	0.998	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.1 M HEPES pH 7.5, 10% PEG 8000, 8% Ethylene glycol