3VSL

Crystal structure of penicillin-binding protein 3 (PBP3) from methicilin-resistant Staphylococcus aureus in the cefotaxime bound form.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-11-02
Detector	ADSC QUANTUM 270
Wavelength(s)	1.0
Spacegroup name	P 43 21 2
Unit cell lengths	143.031, 143.031, 189.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.861 - 2.400
R-factor	0.2501
Rwork	0.247
R-free	0.31560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.422
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.7.2_869))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.399	6.510	2.400
Rmerge	0.111	0.034	0.460
Number of reflections	76011
<I/σ(I)>	9.9
Completeness [%]	98.2	99.3	89
Redundancy	5.7	8.2	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	2.0M Ammonium sulfate, 0.5M Lithium chloride, 5% Glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K