1F8G

THE X-RAY STRUCTURE OF NICOTINAMIDE NUCLEOTIDE TRANSHYDROGENASE FROM RHODOSPIRILLUM RUBRUM COMPLEXED WITH NAD+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-10-30
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	65.900, 116.600, 102.000
Unit cell angles	90.00, 104.22, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.21 *
Rwork	0.210
R-free	0.26000
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.025
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.043	0.271
Number of reflections	99140
<I/σ(I)>	14.1
Completeness [%]	94.7	89.4
Redundancy	3.22	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Sedelnikova, S.E., (2000) Acta Crystallogr., D56, 1170. *
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Sedelnikova, S.E., (2000) Acta Crystallogr., D56, 1170. *
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	Sedelnikova, S.E., (2000) Acta Crystallogr., D56, 1170. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	18-22 (mg/ml)
2	1	drop	sodium phosphate	10 (mM)
3	1	drop	ammonium sulfate	30 (mM)
4	1	drop	NAD+	10 (mM)
5	1	reservoir	sodium phosphate	200 (mM)
6	1	reservoir	ammonium sulfate	30 (mM)
7	1	reservoir	mPEG2000	10-20 (%)