3KTC

Crystal structure of Putative sugar isomerase (YP_050048.1) from ERWINIA CAROTOVORA ATROSEPTICA SCRI1043 at 1.54 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	2009-04-16
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97855,0.97799
Spacegroup name	P 31 2 1
Unit cell lengths	79.653, 79.653, 194.406
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.323 - 1.540
R-factor	0.137
Rwork	0.136
R-free	0.15700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.517
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.323	29.323	1.600
High resolution limit [Å]	1.540	3.310	1.540
Rmerge	0.079	0.026	0.858
Number of reflections	106036	20648	21139
<I/σ(I)>	12.56	43.9	1.6
Completeness [%]	99.1	99.8	95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	0.2000M MgCl2, 10.0000% PEG-8000, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K