4DNH

Crystal structure of hypothetical protein SMc04132 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]	100
Detector technology	CCD
Collection date	2009-06-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9791
Spacegroup name	P 32 2 1
Unit cell lengths	75.291, 75.291, 139.518
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.1773
Rwork	0.174
R-free	0.24010
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.382
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.501	7.050	2.501
Rmerge	0.121	0.044	0.981
Rmeas	0.121
Total number of observations	104452
Number of reflections	16435
<I/σ(I)>	7.1
Completeness [%]	99.9	98.8	100
Redundancy	3.8	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	20% PEG3000, 0.1 M Tris, pH 7.0, 0.2 M Ca(OAc), VAPOR DIFFUSION, SITTING DROP, temperature 298K