3KH2

Crystal structure of the P1 bacteriophage Doc toxin (F68S) in complex with the Phd antitoxin (L17M/V39A). Northeast Structural Genomics targets ER385-ER386

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-09
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	95.899, 111.277, 118.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.710
R-factor	0.219
Rwork	0.217
R-free	0.26700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dd7
RMSD bond length	0.007
RMSD bond angle	0.910
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	COMO (1.2)
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.750
High resolution limit [Å]	2.700	2.700
Rmerge	0.138
Number of reflections	32176
<I/σ(I)>	8.5
Completeness [%]	91.2	94.4
Redundancy	8.2	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5	294	2250 mM NaCl, 100 mM NaH2PO4, 100 mM K2HPO4, 3% ethanol, 100 mM MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K