2V3E

acid-beta-glucosidase with N-nonyl-deoxynojirimycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	67.998, 97.646, 82.348
Unit cell angles	90.00, 102.75, 90.00

Refinement procedure

Resolution	23.620 - 2.000
R-factor	0.163
Rwork	0.160
R-free	0.22000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v3f
RMSD bond length	0.016
RMSD bond angle	1.550
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.620	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.340
Number of reflections	59655
<I/σ(I)>	10.27	2
Completeness [%]	88.9	52.2
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.2 M NH4COOCH3, 0.1 M HEPES PH 7.5, 25% (W/V) PEG 3350