7ED2

Transferase from Mycobacterium tuberculosis

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	2014-10-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9796
Spacegroup name	P 21 21 21
Unit cell lengths	67.410, 78.603, 81.869
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.370 - 1.650
R-factor	0.1836
Rwork	0.182
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.623
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.680
High resolution limit [Å]	1.650	1.650
Number of reflections	52709	2609
<I/σ(I)>	29.15
Completeness [%]	99.2
Redundancy	4
CC(1/2)	0.995	0.668

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	100 mM Tris, pH 8.5, 250 mM magnesium chloride, 40% PEG 1000