3HY4

Structure of human MTHFS with N5-iminium phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2009-05-19
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	C 2 2 21
Unit cell lengths	48.065, 144.583, 60.149
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.320 - 2.795
R-factor	0.2292
Rwork	0.226
R-free	0.29970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hxt
RMSD bond length	0.004
RMSD bond angle	0.769
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.800
High resolution limit [Å]	2.700	2.700
Number of reflections	6020
Completeness [%]	99.3	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.6	298	100mM HEPES, pH6.6, 20mM MgCl2.6H2O, 20mM NiCl2.6H2O, 20% (w/v) PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K