5BY2

Sedoheptulose 7-phosphate isomerase from Colwellia psychrerythraea strain 34H

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97951
Spacegroup name	C 2 2 2
Unit cell lengths	73.310, 109.310, 44.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.280 - 2.800
R-factor	0.2121
Rwork	0.209
R-free	0.26540
RMSD bond length	0.008
RMSD bond angle	1.053
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.280	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.136	0.315
Number of reflections	4651
<I/σ(I)>	13	7.3
Completeness [%]	99.9	100
Redundancy	11.8	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	293	0.1 M Tris-HCl, 0.2 M magnesium chloride, 19%(v/v) PEG400