8U8M

X-ray crystal structure of TEBP-1 MCD2 homodimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2022-06-03
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	C 1 2 1
Unit cell lengths	76.842, 59.965, 151.966
Unit cell angles	90.00, 101.82, 90.00

Refinement procedure

Resolution	49.580 - 2.700
R-factor	0.234
Rwork	0.232
R-free	0.26520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.511
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	148.740	2.830
High resolution limit [Å]	2.700	2.700
Rmerge	0.069	0.560
Number of reflections	35989	2686
<I/σ(I)>	9.1
Completeness [%]	100.0
Redundancy	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	289	TEBP-1 MCD2 + 1 M succinic acid, 9 mM cobalt chloride, 100 mM HEPES, pH 7.5, 16 degrees C, hanging drop, cryoprotectant: 1.2 M succinic acid, 7 mM cobalt chloride, 100 mM HEPES, pH 7.2