6XPI

CutR flat hexamer, form 1

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	2019-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.971700
Spacegroup name	C 1 2 1
Unit cell lengths	135.360, 76.140, 67.810
Unit cell angles	90.00, 119.72, 90.00

Refinement procedure

Resolution	63.910 - 2.600
R-factor	0.2049
Rwork	0.201
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6xpk
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.3 (20-MAY-2020))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	63.910	63.910	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.073	0.023	1.439
Rmeas	0.084	0.027	1.650
Total number of observations	69528
Number of reflections	17277	226	1276
<I/σ(I)>	10.31	33.73	1.04
Completeness [%]	92.8	96.6	94.7
Redundancy	4.024	3.796	4.139
CC(1/2)	0.999	1.000	0.747

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	2.0M ammonium sulfate, 0.1M BIS-Tris, pH 5.5