1LM4

Structure of Peptide Deformylase from Staphylococcus aureus at 1.45 A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	38.224, 76.703, 112.116
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.450
Rwork	0.170
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bs4
RMSD bond length	0.015
RMSD bond angle	24.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.540
High resolution limit [Å]	1.450 *	1.450
Rmerge	0.055 *	0.154 *
Number of reflections	61791
<I/σ(I)>	16.8
Completeness [%]	99.1	95.6
Redundancy	18.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5 *	20 *	PEG 6000, 0.1 M citric acid pH 5.0, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	27 (mg/ml)
2	1	reservoir	PEG6000	30 (%(w/v))
3	1	reservoir	citric acid	0.1 (M)	pH5.0