5KZH

High Resolution Structure of Acinetobacter baumannii beta-lactamase OXA-51

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.08
Spacegroup name	P 21 21 21
Unit cell lengths	88.549, 91.480, 169.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.310 - 1.610
R-factor	0.11779
Rwork	0.116
R-free	0.15796
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.619
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.310	1.650
High resolution limit [Å]	1.610	1.610
Rmerge	0.050	0.748
Number of reflections	176472
<I/σ(I)>	34.18	2.51
Completeness [%]	99.4	100
Redundancy	6.8	6.7
CC(1/2)		0.783

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	298	3% w/v PGA-LM, 20% v/v PEG 500 MME, 0.1 M ammonium sulfate, 0.3 M sodium formate, and 0.1 M sodium acetate, pH 5.0