2HLP

CRYSTAL STRUCTURE OF THE E267R MUTANT OF A 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]	279
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	114.160, 129.980, 123.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 2.590
Rwork	0.194
R-free	0.23200 *
Structure solution method	OTHER
Starting model (for MR)	1hlp
RMSD bond length	0.009 *
RMSD bond angle	1.500 *
Data reduction software	XDS
Data scaling software	CCP4
Refinement software	CNS (0.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.000	2.750
High resolution limit [Å]	2.590	2.590
Rmerge	0.086 *	0.271
Total number of observations	159628 *
Number of reflections	26445
<I/σ(I)>	7.3	2.2
Completeness [%]	88.5 *	71.3 *
Redundancy	3.8	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.6	6 *	1.7M NACL, 20MM TRIS, PH 7.6, 57% MPD

Crystallization Reagents in Literatures

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