1PNO

Crystal structure of R. rubrum transhydrogenase domain III bound to NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.965
Spacegroup name	P 61 2 2
Unit cell lengths	117.950, 117.950, 211.280
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.000 * - 2.100
R-factor	0.209
Rwork	0.209
R-free	0.23100 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.150 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	BEAST
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000 *	2.150
High resolution limit [Å]	2.100	2.100
Rmerge	0.076 *	0.786 *
Total number of observations	172564 *
Number of reflections	50245
<I/σ(I)>	10.7
Completeness [%]	98.5	99.6
Redundancy	3.4	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5	24 *	ammonium sulfate, citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH8.2
2	1	drop	dithiothreitol	0.8 (mM)
3	1	drop	PMSF	0.4 (mM)
4	1	drop	NADP	1 (mM)
5	1	drop	protein	14 (mg/ml)
6	1	reservoir	ammonium sulfate	1.4 (M)
7	1	reservoir	sodium citrate	75 (mM)	pH5.5