1AQ0

BARLEY 1,3-1,4-BETA-GLUCANASE IN MONOCLINIC SPACE GROUP

Experimental procedure

Source type	ROTATING ANODE
Source details	ENRAF-NONIUS FR571
Temperature [K]	294.2
Detector technology	IMAGE PLATE
Collection date	1992-10
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	49.580, 82.990, 77.560
Unit cell angles	90.00, 104.36, 90.00

Refinement procedure

Resolution	13.600 - 2.000
R-factor	0.17
Rwork	0.170
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ghr
RMSD bond length	0.007
RMSD bond angle	24.060 *
Data reduction software	MOSFLM
Data scaling software	Agrovata
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	13.650	2.090
High resolution limit [Å]	2.000	2.000
Rmerge	0.081 *
Number of reflections	40727
Completeness [%]	99.2	96.61

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.8		Keitel, T., (1993) J.Mol.Biol., 232, 1003. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop		60 (mM)
3	1	drop		1 (mM)
4	1	drop	PEG8000	10 (%(w/w))
5	1	reservoir		100 (mM)
6	1	reservoir	PEG8000	20 (%(w/w))