4WD3

Crystal structure of an L-amino acid ligase RizA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9788
Spacegroup name	P 1 21 1
Unit cell lengths	58.380, 87.290, 85.260
Unit cell angles	90.00, 97.52, 90.00

Refinement procedure

Resolution	48.238 - 2.800
R-factor	0.2042
Rwork	0.201
R-free	0.25480
Structure solution method	SAD
RMSD bond length	0.002
RMSD bond angle	0.678
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.240	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.091	0.294
Number of reflections	20941
<I/σ(I)>	15.5	7
Completeness [%]	99.5	99.7
Redundancy	7.3	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	293	sodium HEPES, magnesium chloride, polyethylene glycol 3350, sodium iodide