1D3A

CRYSTAL STRUCTURE OF THE WILD TYPE HALOPHILIC MALATE DEHYDROGENASE IN THE APO FORM

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	284
Detector technology	IMAGE PLATE
Collection date	1998-10-22
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	115.780, 131.330, 125.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.940
Rwork	0.202
R-free	0.24400
RMSD bond length	0.024 *
RMSD bond angle	2.090 *
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.070
High resolution limit [Å]	2.940	2.940
Rmerge	0.100	0.332
Total number of observations	99423 *
Number of reflections	19960 *	3237 *
<I/σ(I)>	3.2
Completeness [%]	94.2	94.5 *
Redundancy	4.9	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	6 *	MPD-NaCl-H2O system, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)
2	1	drop		1.8 (M)
3	1	drop	MPD	58 (%)
4	1	drop		4.3 (mM)
5	1	drop	protein	14 (mg/ml)
6	1	reservoir	MPD	60-70 (%(v/v))