5LUH

AadA E87Q in complex with ATP, calcium and streptomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.972
Spacegroup name	P 32
Unit cell lengths	82.472, 82.472, 79.174
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.573 - 1.730
R-factor	0.1904
Rwork	0.189
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4a
RMSD bond length	0.007
RMSD bond angle	0.892
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.580	1.830
High resolution limit [Å]	1.730	1.730
Rmerge	0.171	0.928
Number of reflections	122414
<I/σ(I)>	5.22	0.98
Completeness [%]	97.0	99.2
Redundancy	2.63
CC(1/2)	0.989	0.273

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	281	20% (w/v) PEG 6000, 0.2 M CaCl2, 0.1 M Hepes pH 7.5