4G88

Crystal structure of OmpA peptidoglycan-binding domain from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	CCD
Collection date	2012-05-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	58.520, 99.300, 98.120
Unit cell angles	90.00, 105.95, 90.00

Refinement procedure

Resolution	50.000 - 1.700
Rwork	0.210
R-free	0.23380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.277
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.077	0.039	0.441
Number of reflections	118342
<I/σ(I)>	9.8
Completeness [%]	100.0	99.8	99.9
Redundancy	3.8	3.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	293	0.1M AMMONIUM TARTRATE, 15%-20% PEG 3350, pH 8, vapor diffusion, temperature 293K