4HD5

Crystal Structure of BC0361, a polysaccharide deacetylase from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	36.455, 52.760, 93.638
Unit cell angles	90.00, 95.82, 90.00

Refinement procedure

Resolution	46.470 - 1.900
R-factor	0.17959
Rwork	0.178
R-free	0.20252
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	HOMOLOGY MODELING
RMSD bond length	0.006
RMSD bond angle	1.097
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SAM-T08 (- PHASER - CNS)
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.470	1.950
High resolution limit [Å]	1.900	1.900
Rmerge		0.326
Number of reflections	21606
<I/σ(I)>		3.2
Completeness [%]	81.3	59.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	25-30% (w/v) PEG3350, 100mM Tris/HCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP		298	25-30% (w/v) PEG3350, 100mM Tris/HCl, VAPOR DIFFUSION, HANGING DROP, temperature 298K