1LHR

Crystal Structure of Pyridoxal Kinase complexed with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2001-12-21
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	59.000, 93.800, 128.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.198
Rwork	0.193
R-free	0.22500 *
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.008 *
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.660
High resolution limit [Å]	2.600	2.600
Rmerge	0.124	0.617
Total number of observations	102919 *
Number of reflections	22694
<I/σ(I)>	12	2.2
Completeness [%]	99.9	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.8	17 *	sodium citrate, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	sodium citrate	0.1 (M)	pH5.8
3	1	reservoir	sodium citrate	1.1 (M)	pH5.8