3PXU

Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei bound to dephospho-coenzyme A

Replaces:  3IKZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-04
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5418
Spacegroup name	I 4 3 2
Unit cell lengths	134.161, 134.161, 134.161
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.600 - 2.100
R-factor	0.2016
Rwork	0.200
R-free	0.24190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1B6T molecule A protein only
RMSD bond length	0.015
RMSD bond angle	1.463
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.180
High resolution limit [Å]	2.050	4.520	2.100
Rmerge	0.087	0.032	0.519
Number of reflections	13128
<I/σ(I)>	44.5	90.7	6.57
Completeness [%]	99.0	99.4	98.1
Redundancy	23.2	27.2	22.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	Hampton Crystal Screen condition c8, 2.0 M ammonium sulfate, 5.5 mg/mL protein with expression tag removed, crystal tracking ID 203611c8, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K, temperature 298K