1KAE

L-HISTIDINOL DEHYDROGENASE (HISD) STRUCTURE COMPLEXED WITH L-HISTIDINOL (SUBSTRATE), ZINC AND NAD (COFACTOR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-11-11
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97945
Spacegroup name	P 21 21 21
Unit cell lengths	54.930, 107.940, 156.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.500 - 1.700
R-factor	0.213
Rwork	0.213
R-free	0.24100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1k75
RMSD bond length	0.015
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	182767
<I/σ(I)>	11.4	1.6
Completeness [%]	92.3	64.6
Redundancy	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	291	PEG 3350, glycerol, imidazole/malic acid buffer, ammonium sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K