1RFT

Crystal structure of pyridoxal kinase complexed with AMP-PCP and pyridoxamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	2002-04-25
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	103.687, 103.687, 58.604
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.800
R-factor	0.218
Rwork	0.214
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lhp
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.860
High resolution limit [Å]	2.800	2.800
Rmerge	0.110	0.543
Number of reflections	9133
<I/σ(I)>	15.7	3.4
Completeness [%]	99.6	100
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	290	ammonium sulphate, potassium phosphate, pyridoxamine, AMP-PCP, zinc acetate, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 290K