1LLQ

Crystal Structure of Malic Enzyme from Ascaris suum Complexed with Nicotinamide Adenine Dinucleotide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.947
Spacegroup name	P 31 2 1
Unit cell lengths	130.620, 130.620, 149.230
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 * - 2.300
R-factor	0.247 *
Rwork	0.247
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qr6
RMSD bond length	0.007
RMSD bond angle	1.249
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.370
High resolution limit [Å]	2.300	2.300
Rmerge	0.047	0.224
Total number of observations	308683 *
Number of reflections	62146 *
<I/σ(I)>	30	6.3
Completeness [%]	94.6 *	99.3
Redundancy	4.7	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	Clancy, L.L., (1992) J. Mol. Biol., 226, 565. *