6IHD

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	2017-02-28
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97934
Spacegroup name	P 43 21 2
Unit cell lengths	87.900, 87.900, 231.146
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.300
R-factor	0.1869
Rwork	0.184
R-free	0.24230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4plh
RMSD bond length	0.016
RMSD bond angle	1.941
Data reduction software	HKL-2000
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	2.340
High resolution limit [Å]	2.300	6.240	2.300
Rmerge	0.075	0.058	0.271
Rmeas	0.078	0.060	0.296
Rpim	0.020	0.016	0.114
Number of reflections	40297	2227	1910
<I/σ(I)>	15.3
Completeness [%]	97.7	96.3	95.1
Redundancy	11.3	15	5.3
CC(1/2)		0.998	0.858

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	35 %(v/v) 2-ethoxyethanol, 0.1M sodium cacodylate / hydrochloric acid pH 6.0