3FHY

Crystal structure of D235N mutant of human pyridoxal kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-03-03
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54178
Spacegroup name	I 2 2 2
Unit cell lengths	91.110, 114.643, 169.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.360 - 2.300
R-factor	0.219
Rwork	0.214
R-free	0.26100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yxu
RMSD bond length	0.008
RMSD bond angle	1.400
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	CNS
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.540	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.049	0.250
Total number of observations		14255
Number of reflections	39415
<I/σ(I)>		4.6
Completeness [%]	99.0	99.3
Redundancy	3.39	3.18

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	Protein solution: 20 mM Sodium BES buffer pH 7.2, 100 mM NaCl, 5 mM BME, 2.5 mM MgATP. Precipitant: 100 mM Tris-HCl pH 8.0, 57%, MPD, 5 mM MgSO4, VAPOR DIFFUSION, HANGING DROP, temperature 298K