3RD6

Crystal structure of Mll3558 protein from Rhizobium loti. Northeast Structural Genomics Consortium target id MlR403

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-07
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	35.837, 84.071, 108.932
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.510 - 2.800
R-factor	0.245
Rwork	0.245
R-free	0.31000
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.860
High resolution limit [Å]	2.800	2.800
Rmerge	0.051
Number of reflections	35914
Completeness [%]	97.5	98

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.1M HEPES (pH 7.5), 20% PEG4000, Na Citrate, VAPOR DIFFUSION, SITTING DROP, temperature 277K