1CXF

COMPLEX OF A (D229N/E257Q) DOUBLE MUTANT CGTASE FROM BACILLUS CIRCULANS STRAIN 251 WITH MALTOTETRAOSE AT 120 K AND PH 9.1 OBTAINED AFTER SOAKING THE CRYSTAL WITH ALPHA-CYCLODEXTRIN

Experimental procedure

Temperature [K]	120
Detector technology	DIFFRACTOMETER
Collection date	1994-12-22
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	116.840, 110.000, 67.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.800 * - 2.600 *
R-factor	0.19
R-free	0.28600 *
RMSD bond length	0.009
RMSD bond angle	18.600 *
Data reduction software	MADNES
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.800 *
High resolution limit [Å]	2.600 *	2.620 *
Rmerge	0.054
Total number of observations	40543 *
Number of reflections	21240 *
Completeness [%]	79.3 *	13.1 *
Redundancy	2.12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5 *		pH 9.1

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)