2VGW

Crystal structure of E53QbsSHMT obtained in the presence of glycine and 5-fomyl tetrahydrofolate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 21 21 2
Unit cell lengths	60.964, 106.460, 56.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.010 - 1.860
R-factor	0.172
Rwork	0.168
R-free	0.20700
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1kl1
RMSD bond length	0.012
RMSD bond angle	1.298
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.860	1.860
Rmerge	0.050	0.380
Number of reflections	346889
<I/σ(I)>	17.5	3.2
Completeness [%]	98.8	92
Redundancy	4.2	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		50% MPD, 0.1 M HEPES PH 7.5, 0.2 MM EDTA, 5 MM 2-MERCAPTOETHANOL, 10 MM GLYCINE PROTEIN INCUBATED WITH 2 MM 5-FORMYL TETRAHYDROFOLATE