1CXI

WILD-TYPE CGTASE FROM BACILLUS CIRCULANS STRAIN 251 AT 120 K AND PH 7.55

Experimental procedure

Temperature [K]	120
Detector technology	DIFFRACTOMETER
Collection date	1992-07-02
Detector	ENRAF-NONIUS FAST
Spacegroup name	P 21 21 21
Unit cell lengths	117.950, 109.800, 65.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.200
R-factor	0.18
R-free	0.24300 *
RMSD bond length	0.008
RMSD bond angle	17.100 *
Data reduction software	MADNES
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9.600 *
High resolution limit [Å]	2.200 *	2.200 *
Rmerge	0.087
Total number of observations	186267 *
Number of reflections	39669 *
Completeness [%]	89.7 *	79.3 *
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	5.5 *		pH 7.55

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)