1CXK

COMPLEX BETWEEN A MALTONONAOSE SUBSTRATE AND BACILLUS CIRCULANS STRAIN 251 CGTASE E257Q/D229N

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	120
Detector technology	DIFFRACTOMETER
Collection date	1996-01
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	117.124, 110.905, 67.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.090
Rwork	0.158
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1cxi
RMSD bond length	0.005
RMSD bond angle	16.750 *
Data reduction software	BIOMOL
Data scaling software	BIOMOL
Phasing software	TNT
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.920	2.160
High resolution limit [Å]	2.090	2.090
Rmerge	0.067	0.160
Number of reflections	45159
Completeness [%]	84.9	27.6
Redundancy	4.6	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5 *		pH 10.30

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	28.7 (mg/ml)
2	1	drop	ammonium acetate	50 (mM)
3	1	drop	alpha-cyclodextrin	50 (mg/ml)
4	1	reservoir	MPD	60 (%(v/v))
5	1	reservoir	sodium Hepes	100 (mM)