8QPM

Structure of methylene-tetrahydromethanopterin reductase from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-10
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	96.660, 96.280, 166.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.330 - 1.800
Rwork	0.180
R-free	0.20160
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.330	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.109	0.822
Number of reflections	144127	14203
<I/σ(I)>	8.3
Completeness [%]	99.8
Redundancy	3.8
CC(1/2)	0.994	0.503

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	35% (v/v) 2-methyl-2,4-pentanediol, 100 mM sodium acetate pH 4.5