7ED0

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	2014-09-30
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9794
Spacegroup name	C 2 2 21
Unit cell lengths	97.807, 121.452, 49.072
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.830 - 1.650
R-factor	0.229
Rwork	0.227
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qjk
RMSD bond length	0.011
RMSD bond angle	1.707
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC
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	35409	1728
<I/σ(I)>	24.16
Completeness [%]	99.7
Redundancy	5.2
CC(1/2)	0.999	0.705

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	30% (w/v) PEG 8000, 100 mM Sodium acetate/acetic acid, pH 4.5, 200 mM Lithium sulfate