6V6Y

Crystal Structure of T. thermophilus methylenetetrahydrofolate dehydrogenase (MTHFD)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-09-05
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.4587
Spacegroup name	P 32 2 1
Unit cell lengths	121.357, 121.357, 59.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	39.422 - 2.152
R-factor	0.214668092329
Rwork	0.213
R-free	0.24389
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p2o
RMSD bond length	0.008
RMSD bond angle	0.975
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX (1.12-2829-000)
Refinement software	PHENIX (1.12-2829-000)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.420	2.229
High resolution limit [Å]	2.152	2.152
Rmeas	0.087	1.431
Number of reflections	25688	1122
<I/σ(I)>	19.87	0.85
Completeness [%]	92.3	38.23
Redundancy	8.53	2.96
CC(1/2)	0.999	0.433

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	800 mM Potassium sodium tartrate, 100 mM HEPES buffer pH 7.5