2OKL

Crystal structure of Peptide Deformylase 2 with actinonin from Bacillus cereus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-09
Detector	ADSC QUANTUM 210
Wavelength(s)	1.00000
Spacegroup name	P 65 2 2
Unit cell lengths	69.447, 69.447, 294.412
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.870 - 1.700
R-factor	0.228
Rwork	0.228
R-free	0.25700
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.066	0.402
Number of reflections	52252
<I/σ(I)>	40.3	1.54
Completeness [%]	93.4	78.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.6M Na-Citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.6M Na-Citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	1.6M Na-Citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K