7LBV

Crystal structure of the Propionibacterium acnes surface sialidase in complex with Neu5Ac2en

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-05-12
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 1
Unit cell lengths	43.978, 46.650, 49.659
Unit cell angles	116.93, 99.10, 91.73

Refinement procedure

Resolution	43.440 - 1.700
R-factor	0.1532
Rwork	0.152
R-free	0.18160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eur
RMSD bond length	0.021
RMSD bond angle	2.047
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.040	0.240
Number of reflections	33635	1000
<I/σ(I)>	20.17	4.43
Completeness [%]	93.2	88.2
Redundancy	3.9	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.8	291	18% (w/v) polyethylene glycol monomethylether 2000, 100 mM HEPES, pH 6.8