3I7D

Crystal structure of sugar phosphate isomerase from a cupin superfamily SPO2919 from Silicibacter pomeroyi (YP_168127.1) from SILICIBACTER POMEROYI DSS-3 at 2.30 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	2009-01-18
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97959,0.97941
Spacegroup name	P 41 21 2
Unit cell lengths	52.815, 52.815, 252.163
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.761 - 2.300
R-factor	0.198
Rwork	0.196
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.369
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.761	29.760	2.360
High resolution limit [Å]	2.300	10.290	2.300
Rmerge	0.336	0.012	0.012
Total number of observations		1672	11235
Number of reflections	16869
<I/σ(I)>	8.3	8.9	0.6
Completeness [%]	99.9	95.3	99.7
Redundancy	9.3	6.9	9.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.33	277	24.0000% polyethylene glycol 8000, 0.3000M sodium acetate, 0.1M sodium cacodylate pH 6.33, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K