3LMZ

Crystal structure of Putative sugar isomerase. (YP_001305105.1) from Parabacteroides distasonis ATCC 8503 at 1.44 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	2009-11-06
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97944,0.97932
Spacegroup name	C 2 2 21
Unit cell lengths	78.594, 81.906, 95.485
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.355 - 1.440
R-factor	0.151
Rwork	0.149
R-free	0.18500
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.688
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.355	28.355	1.490
High resolution limit [Å]	1.440	3.100	1.440
Rmerge	0.053	0.030	0.490
Number of reflections	47272	7549	8307
<I/σ(I)>	10.02	28.2	1.8
Completeness [%]	76.7	69.7	79

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.57	277	19.5000% polyethylene glycol 3000, 0.1M citric acid pH 5.57, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K