5WS4

Crystal structure of tripartite-type ABC transporter MacB from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-13
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.750
Spacegroup name	P 41 21 2
Unit cell lengths	229.652, 229.652, 154.584
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.115 - 3.400
R-factor	0.2285
Rwork	0.227
R-free	0.25710
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.819
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.460
High resolution limit [Å]	3.400	3.400
Rmerge	0.086
Number of reflections	46498
<I/σ(I)>	27.5	1
Completeness [%]	99.9	100
Redundancy	16.3	15.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	298	1.2M Sodium citric acid, 0.1M Sodium HEPES (pH7.2)