8QMK

Enzymatically-produced complex-B bound TmHydE structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.87313
Spacegroup name	P 21 21 2
Unit cell lengths	63.830, 83.560, 70.840
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.960 - 1.300
R-factor	0.144
Rwork	0.143
R-free	0.16780
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	1.788
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.330
High resolution limit [Å]	1.300	1.300
Number of reflections	179824	13316
<I/σ(I)>	10.1
Completeness [%]	99.8
Redundancy	6.2
CC(1/2)	0.998	0.485

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 4000, Tris pH=8, LiSO4