7YH1

Roadblock 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	CCD
Collection date	2021-03-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	48.338, 53.574, 59.856
Unit cell angles	76.65, 75.32, 80.61

Refinement procedure

Resolution	19.940 - 2.690
R-factor	0.2235
Rwork	0.222
R-free	0.26510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7f8m
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.750
High resolution limit [Å]	2.690	2.690
Rmerge	0.049	0.185
Rmeas	0.069	0.261
Rpim	0.049	0.185
Number of reflections	14124	1384
<I/σ(I)>	23.7	4.4
Completeness [%]	91.6
Redundancy	1.9
CC(1/2)		0.952

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MES, pH 6.0 250 mM Zn(CH3COO)2 6% PEG 3000