8FMT

Complex structure of TnnT-R205L Troponin complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	42.682, 169.904, 69.795
Unit cell angles	90.00, 101.38, 90.00

Refinement procedure

Resolution	43.630 - 2.800
R-factor	0.2444
Rwork	0.242
R-free	0.29990
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.129	0.774
Number of reflections	22990	2164
<I/σ(I)>	13.7	2
Completeness [%]	98.4
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2M Sodium Acetate, 20% PEG3350