1E1F

Crystal structure of a Monocot (Maize ZMGlu1) beta-glucosidase in complex with p-Nitrophenyl-beta-D-thioglucoside

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	100
Collection date	1999-03-15
Spacegroup name	P 1 21 1
Unit cell lengths	59.640, 118.150, 80.880
Unit cell angles	90.00, 94.33, 90.00

Refinement procedure

Resolution	39.000 - 2.600
R-factor	0.199
Rwork	0.199
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cbg
RMSD bond length	0.007
RMSD bond angle	22.620 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS (1.0)
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.650
High resolution limit [Å]	2.600	2.590
Rmerge	0.094 *	0.263 *
Total number of observations	137688 *
Number of reflections	34732 *
<I/σ(I)>	4.2	2
Completeness [%]	99.8 *	97.5
Redundancy	3.1	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *		27 % PEG 4000, 1.5 % 1,2,3-HEPTANETRIOL 0.2 M AMMONIUM ACETATE, 0.1 M SODIUM CITRATE PH 5.6

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	11 (mg/ml)
2	1	drop	HEPES	20 (mM)
3	1	reservoir	sodium citrate	0.1 (M)
4	1	reservoir	ammonium acetate	0.2 (M)
5	1	reservoir	PEG4000	27 (%)
6	1	drop	1,2,3-heptanetriol	1.5 (%)
7	1	drop	pNPTGlc	5 (mM)