1LQW

Crystal Structure of S.aureus Peptide Deformylase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	1999-12-09
Detector	MARRESEARCH
Wavelength(s)	0.933
Spacegroup name	P 1 21 1
Unit cell lengths	48.210, 42.190, 101.670
Unit cell angles	90.00, 98.67, 90.00

Refinement procedure

Resolution	100.000 * - 1.870
R-factor	0.231
Rwork	0.231
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.650
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	AMoRE
Refinement software	X-PLOR (98.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	1.970
High resolution limit [Å]	1.870	1.870
Rmerge	0.046 *	0.274 *
Number of reflections	33121
<I/σ(I)>	9.8	2.3
Completeness [%]	98.5	95.4
Redundancy	2.5	1.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	19 *	2.08M K2HPO4/NAH2PO4, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 299K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	sodium potassium phosphate	1.04 (M)	pH4.8
2	1	drop	protein	0.65 (mM)
3	1	reservoir	sodium potassium phosphate	2.08 (M)	pH4.8