5LIL

Structure of Aggregatibacter actinomycetemcomitans MacB bound to ATPyS (P21)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-09-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98
Spacegroup name	P 1 21 1
Unit cell lengths	111.587, 82.621, 124.920
Unit cell angles	90.00, 94.45, 90.00

Refinement procedure

Resolution	79.946 - 3.350
R-factor	0.2466
Rwork	0.244
R-free	0.29020
RMSD bond length	0.003
RMSD bond angle	0.711
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_2196: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	79.950
High resolution limit [Å]	3.350
Number of reflections	63156
<I/σ(I)>	7.7
Completeness [%]	99.6
Redundancy	9.3

Crystallization Conditions

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