6IHE

Crystal structure of Malate dehydrogenase from Metallosphaera sedula

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-17
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 31 2 1
Unit cell lengths	134.194, 134.194, 81.940
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.1938
Rwork	0.192
R-free	0.22580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.977
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.930
High resolution limit [Å]	1.900	5.160	1.900
Rmerge	0.071	0.052	0.333
Rmeas	0.076	0.055	0.373
Rpim	0.025	0.018	0.162
Number of reflections	65061	3477	3232
<I/σ(I)>	11.9
Completeness [%]	96.7	98	97.4
Redundancy	6.8	9.1	4.4
CC(1/2)		0.996	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	40 % (v/v) polyethylene glycol (PEG) 300, 0.1 M CHES / sodium hydroxide pH 9.5, 0.2 M sodium chloride