2JE8

Structure of a beta-mannosidase from Bacteroides thetaiotaomicron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-26
Detector	ADSC CCD
Spacegroup name	P 1 21 1
Unit cell lengths	91.463, 115.997, 99.146
Unit cell angles	90.00, 113.42, 90.00

Refinement procedure

Resolution	39.560 - 1.700
R-factor	0.157
Rwork	0.155
R-free	0.18800
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.651
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXD
Refinement software	REFMAC (5.3.0021)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.560	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.060	0.270
Number of reflections	2
<I/σ(I)>	15.3	5.3
Completeness [%]	100.0	100
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		0.15-0.35 M NABR, 6-12% W/V PEG 3350 AND 0.1 M BIS TRIS PROPANE PH7 OR 0.08-0.2 M KSCN 8-15% W/V PEG 3350 AND 0.1 M BIS TRIS PROPANE, pH 7.00