2TRS

CRYSTAL STRUCTURES OF MUTANT (BETAK87T) TRYPTOPHAN SYNTHASE ALPHA2 BETA2 COMPLEX WITH LIGANDS BOUND TO THE ACTIVE SITES OF THE ALPHA AND BETA SUBUNITS REVEAL LIGAND-INDUCED CONFORMATIONAL CHANGES

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1993-04
Detector	RIGAKU RAXIS IIC
Spacegroup name	C 1 2 1
Unit cell lengths	184.200, 61.300, 67.900
Unit cell angles	90.00, 94.50, 90.00

Refinement procedure

Resolution	8.000 - 2.040
R-factor	0.214
Rwork	0.214
R-free	0.29100 *
Structure solution method	ISOMORPHOUS WITH PDB ENTRY 1WSY
RMSD bond length	0.014
RMSD bond angle	23.600 *
Data reduction software	RIGAKU
Data scaling software	RIGAKU
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.130
High resolution limit [Å]	2.040	2.040
Rmerge	0.080
Number of reflections	37134
<I/σ(I)>	8.7	2.1
Completeness [%]	76.9	49.4 *
Redundancy	2.54

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.8		pH is adjusted to 7.8 with NaOH *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	Bicine	50 (mM)
2	1	1	Na-EDTA	1 (mM)
3	1	1	spermine	0.8-1.5 (mM)
4	1	1	PEG8000	12 (%)
5	1	1	IPP	0.4 (mM)