1LSU

KTN Bsu222 Crystal Structure in Complex with NADH

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-04
Detector	ADSC QUANTUM 4
Wavelength(s)	1.071, 0.9794, 0.9252
Spacegroup name	I 4 2 2
Unit cell lengths	126.600, 126.600, 98.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.850
Rwork	0.279
R-free	0.32900
Structure solution method	MAD, MIR
RMSD bond length	0.011
RMSD bond angle	1.594 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.070 *	0.343
Number of reflections	9635
<I/σ(I)>	16.4	3.5
Completeness [%]	100.0 *	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	298	Ammonium Sulfate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	8 *	298	Ammonium Sulfate, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6-8 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)	pH8.0
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	NAD(H)	1 (mM)
5	1	reservoir	ammonium sulfate	1.2 (M)
6	1	reservoir	MES	100 (mM)	pH6.0