2DDM

Crystal Structure of Pyridoxal Kinase from the Escherichia coli PdxK gene at 2.1 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2004-05-12
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	65.310, 75.132, 107.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.750 - 2.100
R-factor	0.194
Rwork	0.194
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1td2 1lhp 1jxh
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	CaspR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	61.600	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.067	0.248
Number of reflections	31487
<I/σ(I)>	9.8	2.1
Completeness [%]	99.3	99.1
Redundancy	4.5	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	21% PEG 4000, 100mM Tris-HCl, 200mM Na acetate, 40mM MgSO4, 10% glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K