6GIE

Crystal structure of the Acinetobacter baumannii outer membrane protein Omp33

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97834
Spacegroup name	P 21 21 2
Unit cell lengths	69.680, 73.740, 53.030
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.100 - 2.100
R-factor	0.216
Rwork	0.213
R-free	0.26645
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	previous SAD not deposited
RMSD bond length	0.018
RMSD bond angle	1.860
Data reduction software	XDS ((1.12_2829: ???))
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0216)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.100	2.200
High resolution limit [Å]	2.100	2.100
Rpim	0.048	0.630
Number of reflections	16543
<I/σ(I)>	9.5
Completeness [%]	100.0
Redundancy	7.1
CC(1/2)		0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	26% PEG 400 0.05M NaCl 0.1M sodium citrate pH5.5