3PN4

Crystal structure of Arabidopsis thaliana petide deformylase 1B (AtPDF1B) in complex with actinonin (crystallized in PEG-550-MME)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.939
Spacegroup name	P 43 21 2
Unit cell lengths	56.570, 56.570, 146.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 1.900
R-factor	0.18322
Rwork	0.182
R-free	0.20988
Starting model (for MR)	3pn2
RMSD bond length	0.015
RMSD bond angle	1.387
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.020
High resolution limit [Å]	1.900	1.900
Number of reflections	18505
<I/σ(I)>	18.95	4.14
Completeness [%]	99.7	99.8
Redundancy	4.4	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20% PEG-550-MME, Zinc sulfate 25mM, 70mM MES pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K