1AXK

ENGINEERED BACILLUS BIFUNCTIONAL ENZYME GLUXYN-1

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	123
Detector technology	IMAGE PLATE
Collection date	1996-08
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	45.270, 133.700, 77.950
Unit cell angles	90.00, 99.76, 90.00

Refinement procedure

Resolution	19.960 - 2.100
R-factor	0.177
Rwork	0.176
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CIRCULARLY PERMUTED 1 3-1 4-ENDO-BETA-GLUCANASE CPMAC57 (PDB ENTRY 1CPN) AND BACILLUS CIRCULANS 1 3-ENDO-BETA-XYLANASE (PDB ENTRY 1BCX).
RMSD bond length	0.012
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.058	0.230
Total number of observations	165157 *
Number of reflections	48499
<I/σ(I)>	11.6	3.3
Completeness [%]	91.3	80
Redundancy	3.4	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8.7 *		pH 8.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.8 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	drop		2 (mM)
4	1	reservoir	KP	40 (mM)
5	1	reservoir	PEG8000	16 (%)