6LL9

Crystal structure of D-alanine-D-alanine ligase from Aeromonas hydrophila

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	61.996, 93.589, 110.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.406 - 2.700
R-factor	0.2975
Rwork	0.295
R-free	0.35000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dgi
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.510	2.843
High resolution limit [Å]	2.700	2.700
Rmerge	0.137	0.589
Number of reflections	18212	2340
<I/σ(I)>	23.52
Completeness [%]	99.6
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289.15	25% (m/v) PEG3350, 0.2 M ammonium sulfate, 0.1 M HEPES, pH 7.5