8QQ8

Crystal Structure of F420-dependent Methylene-Tetrahydromethanopterin Reductase Mutant E6Q 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	2022-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	I 41 2 2
Unit cell lengths	98.000, 98.000, 200.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.650 - 2.000
R-factor	0.1954
Rwork	0.193
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.903
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]	40.650	2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.100	1.900
Number of reflections	33460	4452
<I/σ(I)>	7.23
Completeness [%]	99.2
Redundancy	4.9
CC(1/2)	0.997	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		281	15 % w/v Polyethylene glycol 4,000 200 mM Ammonium sulfate 2 mM F420 2 mM CH3-H4MPT 20 mg/ml jMer_E6Q