6FZB

AadA in complex with ATP, magnesium and streptomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	173
Detector technology	PIXEL
Collection date	2017-08-31
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.07438
Spacegroup name	P 32
Unit cell lengths	82.670, 82.670, 79.860
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.335 - 2.050
R-factor	0.1759
Rwork	0.174
R-free	0.20760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4a
RMSD bond length	0.013
RMSD bond angle	0.660
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.600	2.100
High resolution limit [Å]	2.050	2.050
Rmeas	0.112	1.784
Number of reflections	38252	2660
<I/σ(I)>	13.43	1.33
Completeness [%]	100.0	99.9
Redundancy	10.3	10.6
CC(1/2)	0.992	0.552

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	281	20% v/v PEG 500* MME; 10 % w/v PEG 20000, 0.02M DL-Glutamic acid monohydrate; 0.02M DLAlanine; 0.02M Glycine; 0.02M DL-Lysine monohydrochloride; 0.02M DL-Serine, 0.1M Sodium HEPES-MOPS pH 7.5