1E4N

Crystal structure of the inactive mutant Monocot (Maize ZMGlu1) beta-glucosidase ZMGluE191D in complex with the natural aglycone DIMBOA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Collection date	2000-03-15
Spacegroup name	P 21 21 21
Unit cell lengths	91.570, 95.310, 117.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.000 - 2.100
R-factor	0.223
Rwork	0.223
R-free	0.26600 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1e1e
RMSD bond length	0.007
RMSD bond angle	22.300 *
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.100	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.083	0.484
Number of reflections	58526
<I/σ(I)>	7.7	1.3
Completeness [%]	96.7	90.3
Redundancy	2.9	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5		22 % PEG 4000, 5 % ISOPROPANOL, 0.1 M HEPES PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	HEPES	0.1 (M)
2	1	reservoir	PEG4000	22 (%)
3	1	reservoir	isopropanol	5 (%)