5B6A

Structure of Pyridoxal Kinasefrom Pseudomonas Aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-14
Detector	ADSC QUANTUM 270
Wavelength(s)	1.00002
Spacegroup name	P 31 2 1
Unit cell lengths	102.547, 102.547, 61.492
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.000
R-factor	0.1964
Rwork	0.195
R-free	0.22470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pzs
RMSD bond length	0.011
RMSD bond angle	1.619
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	2.000	5.430	2.000
Rmerge	0.078	0.069	0.392
Number of reflections	24013
<I/σ(I)>	18.7
Completeness [%]	94.2	72.8	97.5
Redundancy	6	5.3	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1M Tris, pH 8.5, 1M lithium chloride, 13% (w/v) polyethylene glycol 6000