9D5W

Crystal Structure of the Substrate Binding Domain Protein of the ABC Transporter PBP2_YxeM from Vibrio cholerae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-29
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	118.044, 105.816, 118.124
Unit cell angles	90.00, 119.92, 90.00

Refinement procedure

Resolution	59.110 - 2.300
Rwork	0.194
R-free	0.22850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.261
Data reduction software	xia2
Data scaling software	xia2
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0430)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.110	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.114	0.469
Rmeas	0.141	0.578
Rpim	0.082	0.333
Number of reflections	107373	4978
<I/σ(I)>	7.4	2.1
Completeness [%]	95.8
Redundancy	2.9
CC(1/2)	0.876	0.565

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	1.6 M Lithium sulfate, 150 mM Cacodylate pH 6.5, 1.0 % v/v 1,2 propanediol