1QR6

HUMAN MITOCHONDRIAL NAD(P)-DEPENDENT MALIC ENZYME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	100
Detector technology	CCD
Collection date	1998-10-05
Detector	ADSC QUANTUM 4
Spacegroup name	B 1 1 2
Unit cell lengths	204.400, 107.000, 59.200
Unit cell angles	90.00, 90.00, 101.90

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.228
Rwork	0.228
R-free	0.28700
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MADSYS
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.043	0.108
Total number of observations	343811 *
Number of reflections	70337
<I/σ(I)>	20
Completeness [%]	90.0	69
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	4 *	100 MM HEPES, 8% PEG 8000, 5% MPD, 6 MM MGSO4, 10 MM TARTRONATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	4 *	100 MM HEPES, 8% PEG 8000, 5% MPD, 6 MM MGSO4, 10 MM TARTRONATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	7.4 *	4 *	100 MM HEPES, 8% PEG 8000, 5% MPD, 6 MM MGSO4, 10 MM TARTRONATE, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
10	1	reservoir	tartronate	10 (mM)
2	1	drop	Tris	30 (mM)
3	1	drop		125 (mM)
4	1	drop	NAD+	3 (mM)
5	1	drop	dithiothreitol	10 (mM)
6	1	reservoir	HEPES	100 (mM)
7	1	reservoir	PEG8000	8 (%)
8	1	reservoir	MPD	5 (%)
9	1	reservoir		6 (mM)