8KBC

Structure of CmTad1 complexed with cAAA

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	138.935, 145.731, 150.766
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 2.800
R-factor	0.2285
Rwork	0.226
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.266
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.340	2.880
High resolution limit [Å]	2.800	2.810
Rmerge	0.218	2.143
Rmeas	0.227	2.226
Rpim	0.062	0.598
Total number of observations		74955
Number of reflections	75093	5484
<I/σ(I)>	9.4	1.4
Completeness [%]	100.0
Redundancy	13.1	13.7
CC(1/2)	0.995	0.644

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