3OS7

Crystal structure of a galactose mutarotase-like protein (CA_C0697) from CLOSTRIDIUM ACETOBUTYLICUM at 1.80 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-26
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	C 1 2 1
Unit cell lengths	209.532, 41.553, 211.641
Unit cell angles	90.00, 119.58, 90.00

Refinement procedure

Resolution	29.553 - 1.800
R-factor	0.1447
Rwork	0.143
R-free	0.18080
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.460
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.553	29.553	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.057	0.025	0.332
Number of reflections	146955	27829	22516
<I/σ(I)>	10.27	26.1	2
Completeness [%]	93.5	95.8	83.8
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	22.2% polyethylene glycol 3350, 0.257M di-sodium tartrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP		277	22.2% polyethylene glycol 3350, 0.257M di-sodium tartrate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K