3Q64

X-ray crystal structure of protein mll3774 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR405.

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	2010-10-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97897
Spacegroup name	P 32 2 1
Unit cell lengths	86.378, 86.378, 57.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.17864
Rwork	0.177
R-free	0.19486
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.184
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (then SOLVE/RESOLVE)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.047	0.423
Number of reflections	76634
<I/σ(I)>	50.2	5.6
Completeness [%]	99.1	100
Redundancy	11.2	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	277	Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100 mM MES (pH 6), PEG 4000 20% (w/v),100 mM Magnesium sulfate heptahydrate, Microbatch, under oil, temperature 277K