2FZW

Structure of the binary complex of the E67L mutant of human glutathione-dependent formaldehyde dehydrogenase with NAD(H)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	113
Wavelength(s)	1.1
Spacegroup name	P 43 21 2
Unit cell lengths	79.270, 79.270, 311.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.840
Rwork	0.177
R-free	0.20400
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.910
High resolution limit [Å]	1.840	1.840
Rmerge	0.100	0.435
Number of reflections	87310	8508
<I/σ(I)>	8.7	9
Completeness [%]	99.8	99.4
Redundancy	28.3	26.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	278	15% PEG 8000, 100mM potassium phosphate, pH 7.1, 10uM Zinc sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 278K