3I0Z

Crystal structure of putative putative tagatose-6-phosphate ketose/aldose isomerase (NP_344614.1) from STREPTOCOCCUS PNEUMONIAE TIGR4 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-01-17
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97964
Spacegroup name	C 1 2 1
Unit cell lengths	57.635, 111.267, 126.600
Unit cell angles	90.00, 97.09, 90.00

Refinement procedure

Resolution	29.748 - 1.700
R-factor	0.141
Rwork	0.139
R-free	0.17800
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.521
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.748	29.750	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge	0.082	0.039	0.532
Total number of observations		2687	17573
Number of reflections	85864
<I/σ(I)>	7.225	13.7	1.4
Completeness [%]	99.0	98.4	98
Redundancy	2.8	2.7	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1860M calcium acetate, 22.2000% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K