1FDI

OXIDIZED FORM OF FORMATE DEHYDROGENASE H FROM E. COLI COMPLEXED WITH THE INHIBITOR NITRITE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	1995-12
Detector	RIGAKU RAXIS
Spacegroup name	P 41 21 2
Unit cell lengths	146.800, 146.800, 81.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 2.900
R-factor	0.192
Rwork	0.192
R-free	0.28400
Structure solution method	DIFFERENCE FOURIER ANALYSIS USING PHASES FROM THE STRUCTURE OF OXIDIZED FDH-H (PDB ENTRY 1FDO)
RMSD bond length	0.014
RMSD bond angle	25.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.090	0.290
Total number of observations	94068 *
Number of reflections	19946
<I/σ(I)>	19.5	6.9
Completeness [%]	97.7	99
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	ammonium sulfate	1.5-1.7 (M)
3	1	reservoir	PEG400	1 (%)
4	1	reservoir	sodium formate	20 (mM)
5	1	reservoir	HEPES/NaOH	100 (mM)