9BT4

Pyruvate:Ferredoxin Oxidoreductase from Methanosarcina acetivorans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-12-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.1271
Spacegroup name	P 65
Unit cell lengths	79.121, 79.121, 496.524
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.001 - 1.920
Rwork	0.173
R-free	0.20020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	1.105
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	67.900	1.925
High resolution limit [Å]	1.920	1.920
Rmerge	0.143	0.745
Rpim	0.091	0.343
Number of reflections	726473	7657
<I/σ(I)>	8.8
Completeness [%]	99.7
Redundancy	5.5
CC(1/2)	0.994	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	10-15% PEG 3350