4JAW

Crystal Structure of Lacto-N-Biosidase from Bifidobacterium bifidum complexed with LNB-thiazoline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-25
Detector	ADSC QUANTUM 4r
Wavelength(s)	1.0
Spacegroup name	P 21 21 2
Unit cell lengths	116.524, 131.557, 104.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.610 - 1.800
R-factor	0.18335
Rwork	0.182
R-free	0.21306
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	4h04
RMSD bond length	0.027
RMSD bond angle	2.365
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	REFMAC (5.6.0117)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.800	1.800
Number of reflections	150089
<I/σ(I)>	23.97	4.85
Completeness [%]	100.0	100
Redundancy	7.4	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	0.2M potassium sodium tartrate tetrahydrate, 0.1M sodium citrate, 2.0M ammonium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K