7QFU

Crystal Structure of AtlA catalytic domain from Enterococcus feacalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	120
Detector technology	PIXEL
Collection date	2018-04-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9762
Spacegroup name	P 31 2 1
Unit cell lengths	62.549, 62.549, 93.219
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.880 - 1.450
R-factor	0.1326
Rwork	0.131
R-free	0.16770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fi7
RMSD bond length	0.013
RMSD bond angle	1.861
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.000	1.470
High resolution limit [Å]	1.450	1.450
Number of reflections	38042	1849
<I/σ(I)>	9.8
Completeness [%]	99.9
Redundancy	4.7
CC(1/2)	0.990	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Magnesium chloride, 10% polyethylene glycol (PEG) 3000 and 0.1M Na-Cacodylate pH 6.5.