1A47

CGTASE FROM THERMOANAEROBACTERIUM THERMOSULFURIGENES EM1 IN COMPLEX WITH A MALTOHEXAOSE INHIBITOR

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1996-04-08
Detector	MAC Science DIP-2020
Spacegroup name	P 21 21 21
Unit cell lengths	73.996, 97.789, 116.263
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.560
R-factor	0.186 *
Rwork	0.186
R-free	0.25000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ciu
RMSD bond length	0.003
RMSD bond angle	17.500 *
Data reduction software	XDS
Data scaling software	BIOMOL ((KBAPLY))
Phasing software	BIOMOL
Refinement software	TNT (5D)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.070	2.580
High resolution limit [Å]	2.560	2.560
Rmerge	0.068	0.215
Total number of observations	181769 *
Number of reflections	25423
<I/σ(I)>	9.3	4.9
Completeness [%]	91.1	74.3
Redundancy	5.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.6 *		21% SATURATED AMMONIUM SULFATE, 100 MM TRIS, PH 7.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	ammonium sulfate	21 (%sat)
2	1	1	Tris-HCl	100 (mM)