5LJ7

Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATP (P21)

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	2015-11-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9686
Spacegroup name	P 1 21 1
Unit cell lengths	112.328, 82.610, 125.170
Unit cell angles	90.00, 93.54, 90.00

Refinement procedure

Resolution	86.126 - 3.250
R-factor	0.2488
Rwork	0.246
R-free	0.29940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5lil
RMSD bond length	0.003
RMSD bond angle	0.577
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2196: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.130
High resolution limit [Å]	3.250	3.250
Number of reflections	70100
<I/σ(I)>	6.7
Completeness [%]	99.4
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	PEG 400, Sodium Citrate, Magnesium Chloride, ATPyS, Dodecylmaltopyranoside