5K2M

Bifunctional LysX/ArgX from Thermococcus kodakarensis with LysW-gamma-AAA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-28
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	76.150, 135.099, 136.977
Unit cell angles	90.00, 97.49, 90.00

Refinement procedure

Resolution	50.000 - 2.180
R-factor	0.182
Rwork	0.180
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vpd 3wwl
RMSD bond length	0.008
RMSD bond angle	1.383
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.220
High resolution limit [Å]	2.180	2.180
Rmerge	0.087	0.388
Number of reflections	142143
<I/σ(I)>	6.5
Completeness [%]	99.7	100
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	MPD, PEG 3350, Imidazole pH 6.5, Ammonium sulfate, AMP-PNP, AAA, MgSO4