6A80

Crystal Structure of putative amino acid binding periplasmic ABC transporter protein from Candidatus Liberibacter asiaticus in complex with cystine

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	2017-11-03
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976251
Spacegroup name	P 21 21 21
Unit cell lengths	46.160, 86.780, 122.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.760 - 1.560
R-factor	0.18731
Rwork	0.185
R-free	0.22131
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yln
RMSD bond length	0.020
RMSD bond angle	2.091
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]	70.760	1.587
High resolution limit [Å]	1.560	1.560
Rmerge	0.033	0.683
Rmeas	0.038	0.781
Rpim	0.018	0.500
Number of reflections	70624	3510
<I/σ(I)>	20.1	2.2
Completeness [%]	99.8	99.7
Redundancy	4.5	4.2
CC(1/2)	0.999	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	277	2M Ammonium sulphate, 0.1M Sodium acetate Trihydrate