1NY1

CRYSTAL STRUCTURE OF B. SUBTILIS POLYSACCHARIDE DEACETYLASE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET SR127.

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Spacegroup name	P 65
Unit cell lengths	88.112, 88.112, 120.645
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.700 - 1.800
R-factor	0.182
Rwork	0.182
R-free	0.21200
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.044
Number of reflections	87098
<I/σ(I)>	14.5	2.96
Completeness [%]	97.2
Redundancy		2.08

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		283	20% PEG3350, 200mM di-ammonium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 283K