1LWD

CRYSTAL STRUCTURE OF NADP-DEPENDENT ISOCITRATE DEHYDROGENASE FROM PORCINE HEART MITOCHONDRIA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	1999-12-01
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	C 1 2 1
Unit cell lengths	137.860, 112.569, 66.080
Unit cell angles	90.00, 97.00, 90.00

Refinement procedure

Resolution	29.230 - 1.850
R-factor	0.185
Rwork	0.182
R-free	0.21000
Structure solution method	MAD
Starting model (for MR)	ISOMORPHOUS SE-MET CRYSTAL STRUCTURE
RMSD bond length	0.005
RMSD bond angle	1.250 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.073	0.963
Total number of observations	334110 *
Number of reflections	88689
<I/σ(I)>	11.6	1.4
Completeness [%]	95.9	92.7
Redundancy	3.767	3.643

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.7	4 *	20 MG/ML PROTEIN, 100 MM TRIETHANOLAMINE CHLORIDE PH 7.7, 150 MM SODIUM SULFATE, 8 MM ISOCITRATE, 4 MM MANGANESE SULFATE, 20% PEG 6000, 3% GLYCEROL, pH 7.70, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
10	1	reservoir	PEG6000	20 (%)
2	1	drop	TEA-Cl	0.1 (M)	pH7.7
3	1	drop		0.15 (M)
4	1	drop	dl-isocitrate	8 (mM)
5	1	drop		4 (mM)
6	1	drop	PEG6000	20 (%)
7	1	drop	glycerol	3 (%)
8	1	reservoir	TEA-Cl	0.1 (M)	pH7.7
9	1	reservoir		0.15 (M)