7ED1

Transferase from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-10-31
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	116.559, 73.858, 65.196
Unit cell angles	90.00, 94.73, 90.00

Refinement procedure

Resolution	29.450 - 1.650
R-factor	0.18365
Rwork	0.182
R-free	0.21489
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.637
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	64434	3113
<I/σ(I)>	16.44
Completeness [%]	97.2
Redundancy	4.1
CC(1/2)	0.996	0.906

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M MES, pH 6.5, 0.2 M calcium chloride, 33%(v/v) PEG4000