9DTE

Crystal Structure of C2-02802

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	2021-11-29
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.97911
Spacegroup name	H 3
Unit cell lengths	56.429, 56.429, 96.624
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.610 - 1.490
R-factor	0.1925
Rwork	0.192
R-free	0.21180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.368
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.610	1.510
High resolution limit [Å]	1.490	1.490
Rmerge	0.051	1.225
Rpim	0.029	0.688
Number of reflections	18820	874
<I/σ(I)>	11.6	0.7
Completeness [%]	99.6	94.9
Redundancy	5	4.6
CC(1/2)	0.997	0.430

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	15% (w/v) PEG 1500