5LJ6

Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATPyS (P6522)

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 PILATUS 6M
Wavelength(s)	0.97943
Spacegroup name	P 65 2 2
Unit cell lengths	119.570, 119.570, 307.779
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	59.785 - 3.900
R-factor	0.2699
Rwork	0.268
R-free	0.32220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	Higher resolution MacB structure in space group P21
RMSD bond length	0.004
RMSD bond angle	1.025
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]	61.560
High resolution limit [Å]	3.900	3.900
Number of reflections	21959
<I/σ(I)>	10.3
Completeness [%]	97.9
Redundancy	13.8

Crystallization Conditions

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