1E5Q

Ternary complex of saccharopine reductase from Magnaporthe grisea, NADPH and saccharopine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	86.643, 205.809, 125.599
Unit cell angles	90.00, 100.05, 90.00

Refinement procedure

Resolution	19.960 - 2.100
R-factor	0.207
Rwork	0.207
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ff9
RMSD bond length	0.007
RMSD bond angle	23.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.065	0.371
Total number of observations	2072876 *
Number of reflections	250975
<I/σ(I)>	18	2.5
Completeness [%]	99.7	96.5
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.25	4 *	8 MG/ML PROTEIN, 1 MM SACCHAROPINE, 1 MM NADPH, 20 % (W/W) PEG8000, 0.1 M TRIS-HCL PH 7.25, 1 MM DTT

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	NADPH	1 (mM)
3	1	drop	saccharopine	9 (mM)
4	1	reservoir	PEG8000	20 (%(w/w))
5	1	reservoir	Tris-HCl	0.1 (M)
6	1	reservoir	dithiothreitol	1 (mM)