9JUE

Roadblock3 homodimer structure from Candidatus Prometheoarchaeum syntrophicum strain MK-D1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-04-19
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	71.692, 88.909, 112.416
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.860 - 2.200
R-factor	0.211
Rwork	0.209
R-free	0.24810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.532
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.860	2.279
High resolution limit [Å]	2.200	2.200
Rmerge	0.129	0.727
Rmeas	0.141	0.893
Rpim	0.057	0.506
Number of reflections	35992	3236
<I/σ(I)>	17.71	1
Completeness [%]	96.7	87.8
Redundancy	5.5	2.7
CC(1/2)	0.978	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		293.15	0.2 M sodium chloride 0.1 M HEPES pH 7.0 20 % w/v PEG 6000