2QW5

CRYSTAL STRUCTURE OF A PUTATIVE SUGAR PHOSPHATE ISOMERASE/EPIMERASE (AVA4194) FROM ANABAENA VARIABILIS ATCC 29413 AT 1.78 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	2007-07-20
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97939
Spacegroup name	P 41 21 2
Unit cell lengths	84.238, 84.238, 208.172
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.108 - 1.780
R-factor	0.179
Rwork	0.177
R-free	0.22400
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.711
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]	42.108	42.108	1.840
High resolution limit [Å]	1.780	3.040	1.780
Rmerge	0.108	0.054	0.684
Number of reflections	71702
<I/σ(I)>	14.47	31.4	2.3
Completeness [%]	97.5	99.9	81

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.1	277	NANODROP, 0.2M CaCl2, 20.0% PEG 3350, No Buffer pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 277K