6XPL

CutR Screw, form 2 with 33.8 angstrom pitch

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	2019-12-06
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 61
Unit cell lengths	64.910, 64.910, 33.780
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	56.214 - 3.300
Rwork	0.219
R-free	0.26540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xpk
RMSD bond length	0.005
RMSD bond angle	1.306
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.214	56.214	3.500
High resolution limit [Å]	3.300	8.400	3.300
Rmerge	0.236	0.047	1.337
Rmeas	0.268	0.054	1.510
Number of reflections	1286	84	208
<I/σ(I)>	4.63	21.23	0.98
Completeness [%]	99.3	95.5	99.5
Redundancy	4.579	4.071	4.543
CC(1/2)	0.992	0.996	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.2M potassium sodium tartrate tetrahydrate, 0.1M Bis-Tris propane, 8.52% w/v PEG 3350