6URF

Malic enzyme from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	94.548, 143.178, 117.617
Unit cell angles	90.00, 109.77, 90.00

Refinement procedure

Resolution	47.170 - 3.600
R-factor	0.3065
Rwork	0.305
R-free	0.32700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2aw5
RMSD bond length	0.004
RMSD bond angle	0.822
Data reduction software	XDS
Data scaling software	pointless (1.11.19)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.170	3.729
High resolution limit [Å]	3.600	3.600
Rmerge	0.137	0.777
Rmeas	0.193	1.099
Rpim	0.137	0.777
Number of reflections	34246	3417
<I/σ(I)>	4.43	1.06
Completeness [%]	99.7	99.5
Redundancy	2	2
CC(1/2)	0.983	0.491

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.1M HEPES pH 7.5, 200mM NaCl, 2mM Glycine, 12% PEG 8000