3M7A

Crystal structure of Saro_0823 (YP_496102.1) a protein of unknown function from NOVOSPHINGOBIUM AROMATICIVORANS DSM 12444 at 1.22 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-02
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97883,0.91837
Spacegroup name	C 1 2 1
Unit cell lengths	81.401, 65.190, 59.730
Unit cell angles	90.00, 128.60, 90.00

Refinement procedure

Resolution	45.531 - 1.220
R-factor	0.119
Rwork	0.117
R-free	0.14800
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.537
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.531	45.531	1.260
High resolution limit [Å]	1.220	2.630	1.220
Rmerge	0.090	0.052	0.658
Number of reflections	71683	7353	6473
<I/σ(I)>	10.24	29.8	1.8
Completeness [%]	98.6	99.1	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.86	277	29.5000% polyethylene glycol 4000, 0.2000M magnesium chloride, 0.1M TRIS pH 8.86, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K