1KAR

L-HISTIDINOL DEHYDROGENASE (HISD) STRUCTURE COMPLEXED WITH HISTAMINE (INHIBITOR), 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	55.340, 109.040, 157.940
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.840 - 2.100
R-factor	0.248
Rwork	0.248
R-free	0.28100
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1k75
RMSD bond length	0.006
RMSD bond angle	1.200
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	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	52600
<I/σ(I)>	20.2	4
Completeness [%]	92.7	78
Redundancy	7

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