5IDV

Structure of the nucleotide binding domain of an ABC transporter MsbA from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-11-20
Detector	RAYONIX MX-225
Wavelength(s)	0.97872
Spacegroup name	C 2 2 21
Unit cell lengths	65.220, 89.030, 104.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.450
R-factor	0.1501
Rwork	0.149
R-free	0.17800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qla
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (dev_2313)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.613	52.613	1.490
High resolution limit [Å]	1.450	6.480	1.450
Rmerge	0.040	0.019	0.539
Number of reflections	53798
<I/σ(I)>	25	66.58	3.17
Completeness [%]	99.7	92	100
Redundancy	6.14		6.08
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	290	JCSG+ A8 (267191a8): 200mM Ammonium formate, 20% PEG3350; protein conc. 17.3mg/mL; 20% ethylene glycol cryo; puck aak7-1