1ARZ

ESCHERICHIA COLI DIHYDRODIPICOLINATE REDUCTASE IN COMPLEX WITH NADH AND 2,6 PYRIDINE DICARBOXYLATE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	294
Detector technology	AREA DETECTOR
Collection date	1996-08
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	137.600, 123.800, 66.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.214
Rwork	0.214
R-free	0.29700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dih
RMSD bond length	0.016
RMSD bond angle	25.000 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.081 *	0.269 *
Total number of observations	119624 *
Number of reflections	32245	4365 *
<I/σ(I)>	15.9	2
Completeness [%]	90.0	74
Redundancy	3.7	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.5 *		PROTEIN WAS CRYSTALLIZED FROM 23-26% PEG 8000, IN 160-180 MM POTASSIUM PHOSPHATE, 100 MM SODIUM CACODYLATE PH 7.5

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	23-26 (%)
2	1	reservoir	potassium phosphate	160-180 (mM)
3	1	reservoir	sodium cacodylate	100 (mM)	pH6.5
4	1	drop	protein	20 (mg/ml)
5	1	drop	NADH	2 (mM)
6	1	drop	PDC	30 (mM)