5GL3

Crystal structure of TON_0340 in complex with Mg

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]	295
Detector technology	CCD
Collection date	2012-01-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	106.982, 106.982, 363.688
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.400
Rwork	0.199
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fc5
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.061	0.033	0.203
Total number of observations	423552
Number of reflections	73586
<I/σ(I)>	16.2
Completeness [%]	87.8	98	64.4
Redundancy	5.8	8.6	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	sodium acetate pH, 16% 2-methyl-2,4-pentanediol,magnesium acetate