4GN2

Crystal Structure of OXA-45, a Class D beta-lactamase with extended spectrum activity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-05
Detector	BRUKER SMART 6000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	45.169, 47.488, 108.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.226 - 2.010
R-factor	0.1685
Rwork	0.166
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6k
RMSD bond length	0.007
RMSD bond angle	1.121
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.080
High resolution limit [Å]	2.010	4.330	2.010
Rmerge	0.141	0.067	0.435
Number of reflections	16275
<I/σ(I)>	5.4
Completeness [%]	100.0	99.8	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.1 M HEPES pH 7.5 22% PEG 4K 10% 2-propanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K