1LRY

Crystal Structure of P. aeruginosa Peptide Deformylase Complexed with Antibiotic Actinonin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ENRAF-NONIUS
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1997-10-22
Detector	MAC Science DIP-2000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	50.430, 60.130, 73.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.600
R-factor	0.221
Rwork	0.221
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007 *
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.088 *	0.246 *
Number of reflections	7756
Completeness [%]	85.5	85.3
Redundancy	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	19 *	32% PEG6000, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 290K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	CAPS-HCl	30 (mM)	pH9.5
2	1	drop	PEG6000	16 (%)
3	1	drop	protein	0.6 (mM)
4	1	drop	actinonin	0.6 (mM)
5	1	reservoir	CAPS-HCl	60 (mM)	pH9.5
6	1	reservoir	PEG6000	32 (%)