1B0A

5,10, METHYLENE-TETRAHYDROPHOLATE DEHYDROGENASE/CYCLOHYDROLASE FROM E COLI.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	170
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	I 2 2 2
Unit cell lengths	64.520, 84.950, 146.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.000 - 2.560
R-factor	0.232 *
Rwork	0.218
R-free	0.29800 *
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.270 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.560	2.560
Rmerge	0.033	0.130
Number of reflections	12965
<I/σ(I)>		2.6
Completeness [%]	98.6	99.8
Redundancy	3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7.8 *	4 *	pH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	5 (mg/ml)
2	1	drop	PEG10000	13 (%(w/v))
3	1	drop	MPD	1-2 (%)
4	1	drop	Tris-HCl	80 (mM)
5	1	drop	beta-mercaptoethanol	3 (mM)
6	1	reservoir	Tris-HCl	80 (mM)