3JU2

CRYSTAL STRUCTURE OF PROTEIN SMc04130 FROM Sinorhizobium meliloti 1021

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	90
Detector technology	CCD
Collection date	2009-09-10
Detector	ADSC QUANTUM 315
Spacegroup name	P 65 2 2
Unit cell lengths	92.102, 92.102, 157.345
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.20063
Rwork	0.199
R-free	0.24638
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.476
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELX
Refinement software	REFMAC (5.3.0034)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge		0.950
Number of reflections	37235
<I/σ(I)>	6	0.5
Completeness [%]	100.0	100
Redundancy	12.5	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	294	0.1M PHOSPHATE-CITRATE, PH 4.2, 20% PEG8000, 200MM SODIUM CHLORIDE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K