1O6B

Crystal structure of phosphopantetheine adenylyltransferase with ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9798
Spacegroup name	P 41 3 2
Unit cell lengths	115.420, 115.420, 115.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.010 - 2.200
Rwork	0.229
R-free	0.27500
Structure solution method	Se-Met SAD phasing
RMSD bond length	0.015
RMSD bond angle	2.300 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (4.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.940	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.096	0.077
Number of reflections	13895
<I/σ(I)>	38.4	10.3
Completeness [%]	100.0	100
Redundancy	42.2	43.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	HEPES	10 (mM)	pH7.5
2	1	drop		150 (mM)
3	1	drop	methionine	10 (mM)
4	1	drop	glycerol	10 (%)
5	1	drop	dithiothreitol	5 (mM)
6	1	drop	protein	10 (mg/ml)