3M6R

Crystal structure of Arabidopsis thaliana peptide deformylase 1B (AtPDF1B) G41M mutant in complex with actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-07-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.873
Spacegroup name	P 21 21 21
Unit cell lengths	66.640, 66.730, 189.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.150 - 2.400
Rwork	0.226
R-free	0.29340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m6o
RMSD bond length	0.008
RMSD bond angle	1.300
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	2.540
High resolution limit [Å]	2.400	2.400
Number of reflections	33143
<I/σ(I)>	21.28	4.69
Completeness [%]	97.5	96.1
Redundancy	6	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14% PEG-3350, 0.1M zinc acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K