5H8P

Crystal structure of Mycobacterium tuberculosis malate synthase in apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-20
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43 21 2
Unit cell lengths	81.792, 81.792, 227.079
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.956 - 2.105
R-factor	0.2543
Rwork	0.251
R-free	0.31220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n8i
RMSD bond length	0.008
RMSD bond angle	1.163
Data reduction software	DENZO (HKL3000)
Data scaling software	SCALEPACK (HKL3000)
Phasing software	REFMAC (CCP4)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.956	2.140
High resolution limit [Å]	2.105	2.105
Rmerge	0.114	0.909
Number of reflections	40305
<I/σ(I)>	11.66	3.21
Completeness [%]	98.2	100
Redundancy	12.6	13.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	290	PEG 3350, magnesium chloride, tris