8KBD

Structure of CmTad1 complexed with cAAG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	138.719, 145.072, 149.989
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.760 - 3.150
R-factor	0.2032
Rwork	0.202
R-free	0.23880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.367
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.200
High resolution limit [Å]	3.150	8.540	3.150
Rmerge	0.199	0.046	1.340
Rmeas	0.222	0.051	1.535
Rpim	0.097	0.021	0.730
Total number of observations	264166
Number of reflections	52525	2777	2535
<I/σ(I)>	5.9
Completeness [%]	99.2	96.9	97.8
Redundancy	5	5.4	4.1
CC(1/2)	0.983	0.998	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1.6 M Ammonium sulfate, 10% v/v 1,4-Dioxane