5KVV

Structure of Malate Dehydrogenase in complex with NADH from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	2014-07-16
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	52.206, 78.169, 154.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.127 - 2.010
R-factor	0.1751
Rwork	0.173
R-free	0.21780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4kde
RMSD bond length	0.007
RMSD bond angle	1.180
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.040
High resolution limit [Å]	2.010	5.450	2.010
Rmerge	0.097	0.056	0.307
Number of reflections	39215
<I/σ(I)>	13.3
Completeness [%]	91.3	84.6	91.7
Redundancy	4.4	4.1	4.5
CC(1/2)		0.994	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M Bis-Tris, 0.2 M Magnesium chloride hexahydrate, 25% PEG 3,350