6FNU

Structure of S. cerevisiae Methylenetetrahydrofolate reductase 1, catalytic domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-06-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.92819
Spacegroup name	P 21 21 2
Unit cell lengths	110.650, 54.530, 61.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.750 - 1.560
R-factor	0.1537
Rwork	0.152
R-free	0.19040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.435
Data reduction software	xia2
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.760	1.590
High resolution limit [Å]	1.560	1.560
Rmeas	0.191	1.593
Rpim	0.066	0.534
Total number of observations	270864	12175
Number of reflections	53602	1643
<I/σ(I)>	11.4	1.3
Completeness [%]	99.7	99.5
Redundancy	8.1	8.6
CC(1/2)		0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M sodium/potassium tartrate, 20% PEG3350