1E4I

2-deoxy-2-fluoro-beta-D-glucosyl/enzyme intermediate complex of the beta-glucosidase from Bacillus polymyxa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM02
Synchrotron site	ESRF
Beamline	BM02
Temperature [K]	100
Detector technology	CCD
Collection date	1996-10-15
Spacegroup name	I 4 2 2
Unit cell lengths	136.230, 136.230, 173.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.000
R-factor	0.21
Rwork	0.210
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bga
RMSD bond length	0.010
RMSD bond angle	1.540
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	X-PLOR (3.8)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.300	2.100
High resolution limit [Å]	1.960	2.000
Rmerge	0.040
Number of reflections	56246
Completeness [%]	98.0	95
Redundancy	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7		DROP: 10 MICROL PROTEIN (8 MG/ML)+ 5 MICROL PP(1M, PH=7)+5 MICROL INH (5MM) RESERVOIR: 1.3M PP, pH 7.00