5GL4

Crystal structure of TON_0340 in complex with Mn

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NW12A
Synchrotron site	Photon Factory
Beamline	AR-NW12A
Temperature [K]	295
Detector technology	CCD
Collection date	2011-12-05
Detector	ADSC QUANTUM 210
Wavelength(s)	1
Spacegroup name	P 43 21 2
Unit cell lengths	107.041, 107.041, 360.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
Rwork	0.217
R-free	0.25900
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	2.070
High resolution limit [Å]	2.030	5.510	2.030
Rmerge	0.063	0.035	0.315
Total number of observations	443354
Number of reflections	112616
<I/σ(I)>	15
Completeness [%]	82.3	98.3	52.3
Redundancy	3.9	6.8	1.5

Crystallization Conditions

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