6AA1

Crystal structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus bound with citrate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-09
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976251
Spacegroup name	P 21 21 21
Unit cell lengths	46.070, 86.960, 121.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.770 - 1.860
R-factor	0.18826
Rwork	0.186
R-free	0.22517
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yln
RMSD bond length	0.016
RMSD bond angle	1.807
Data reduction software	XDS (Version June 1, 2017)
Data scaling software	autoPROC (1.1.7)
Phasing software	MoRDa (22(2018-05-05))
Refinement software	REFMAC (5.8.0218)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	70.773	1.889
High resolution limit [Å]	1.857	1.857
Rmerge	0.142	1.140
Rmeas		1.213
Rpim	0.050	0.407
Number of reflections	42127	2069
<I/σ(I)>	12.5	2.2
Completeness [%]	99.9	100
Redundancy	8.9	8.8
CC(1/2)	0.997	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	20% PEG 550, 0.1 M Sodium Citrate pH 5.0