1TDT

THREE-DIMENSIONAL STRUCTURE OF TETRAHYDRODIPICOLINATE-N-SUCCINYLTRANSFERASE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1996
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 1 21 1
Unit cell lengths	60.600, 107.900, 70.700
Unit cell angles	90.00, 113.00, 90.00

Refinement procedure

Resolution	? - 2.200
R-factor	0.17 *
Rwork	0.170
R-free	0.23200 *
Structure solution method	MIR - 2 HEAVY ATOM DERIVATIVES
RMSD bond length	0.009
RMSD bond angle	1.970
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASES
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]		2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.067
Total number of observations	137056 *
Number of reflections	38447
Completeness [%]	90.0	73
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5		14-19 % (W/V) POLYETHYLENEGLYCOL 4000 200 MM AMMONIUM SULFATE 6-12 % 2-PROPANOL 100 MM HEPES, PH 7.5,

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	16 (%(w/v))
2	1	1	ammonium sulfate	200 (mM)
3	1	1	HEPES	100 (mM)
4	1	1	2-propanol	10 (%(v/v))