3TDT

COMPLEX OF TETRAHYDRODIPICOLINATE N-SUCCINYLTRANSFERASE WITH 2-AMINO-6-OXOPIMELATE AND COENZYME A

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1997-02
Detector	SIEMENS
Spacegroup name	H 3
Unit cell lengths	96.000, 96.000, 72.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	99.000 - 2.000
R-factor	0.154
Rwork	0.152
R-free	0.22500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2tdt
RMSD bond length	0.019
RMSD bond angle	23.200 *
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	X-PLOR
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.100
High resolution limit [Å]	2.000	2.000
Rmerge	0.045	0.103
Number of reflections	48370
<I/σ(I)>	31.2	6.9
Completeness [%]	97.1	87.2
Redundancy	3	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.4 *		16 % (W/V) POLYETHYLENE GLYCOL 4000 100 MM TRIS, PH 8.0 200 MM AMMONIUM SULFATE 5 % (V/V) 2-PROPANOL 5 MM 2,3,4,5-TETRAHYDRODIPICOLINATE 20 MM COENZYME A

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PEG4000	10-13 (%(w/v))
2	1	drop	MES	94 (mM)
3	1	drop	ammonium sulfate	94 (mM)
4	1	drop	2-propanol	4.7 (%(v/v))
5	1	reservoir	(D,L)-2-aminopimelate	16 (mM)
6	1	reservoir	CoA	2.5 (mM)