2JIE

BETA-GLUCOSIDASE B FROM BACILLUS POLYMYXA COMPLEXED WITH 2-F-GLUCOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM16
Synchrotron site	ESRF
Beamline	BM16
Temperature [K]	120
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	71.236, 74.647, 88.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.2498
Rwork	0.250
R-free	0.30610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e4i
RMSD bond length	0.010
RMSD bond angle	1.638
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.320
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	0.380
Number of reflections	24641
<I/σ(I)>	16	3.4
Completeness [%]	99.8	100
Redundancy	10.4	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1