1D09

ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ASPARTATE (PALA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	AREA DETECTOR
Collection date	1997-12-05
Detector	UCSD MARK III
Spacegroup name	P 3 2 1
Unit cell lengths	122.240, 122.240, 156.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.203
Rwork	0.203
R-free	0.23400
RMSD bond length	0.015
RMSD bond angle	25.350 *
Data reduction software	SDMS
Data scaling software	SDMS
Phasing software	X-PLOR
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	8.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.070	0.437
Number of reflections	74685 *
<I/σ(I)>	10.8
Completeness [%]	94.0 *	90.7
Redundancy	3.8	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Microdialysis *	5.9	21 *	Krause, K.L., (1987) J.Mol.Biol., 193, 527. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	enzyme	15-16 (mg/ml)
2	1	2	maleic acid	50 (mM)
3	1	2	N-(phosphonacetyl)-L-aspartate	1 (mM)
4	1	2		3 (mM)
5	1	2	N-ethylmorpholine