5LPA

AadA E87Q in complex with ATP, calcium and dihydrostreptomycin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-13
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.873
Spacegroup name	P 32
Unit cell lengths	82.885, 82.885, 79.782
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.442 - 1.400
R-factor	0.1476
Rwork	0.146
R-free	0.17820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5g4a
RMSD bond length	0.014
RMSD bond angle	1.381
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]	41.442	1.500
High resolution limit [Å]	1.400	1.400
Rmerge	0.074	0.680
Number of reflections	120821
<I/σ(I)>	11.4	2.14
Completeness [%]	100.0	100
Redundancy	5.19	5.18
CC(1/2)	0.998	0.727

Crystallization Conditions

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