6ECR

The human methylenetetrahydrofolate dehydrogenase/cyclohydrolase (FolD) complexed with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	1999-03-30
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	67.889, 136.419, 61.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.920 - 2.200
R-factor	0.17501
Rwork	0.170
R-free	0.21941
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1dig
RMSD bond length	0.016
RMSD bond angle	1.745
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.230
High resolution limit [Å]	2.200	2.200
Rmerge	0.044	0.147
Number of reflections	29810
<I/σ(I)>	7
Completeness [%]	99.8	98.2
Redundancy	4	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	293	PEG 3350, GLYCEROL, SODIUM CITRATE, AMMONIUM ACETATE, pH 5.2, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 20K.