6AMX

Crystal Structure of Nucelotide Binding Domain of O-antigen polysaccharide ABC-transporter

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-24
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 31 2 1
Unit cell lengths	96.220, 96.220, 60.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.776 - 2.050
R-factor	0.204
Rwork	0.202
R-free	0.23430
RMSD bond length	0.008
RMSD bond angle	0.859
Data reduction software	Aimless
Data scaling software	Aimless (0.5.32)
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.500	2.110
High resolution limit [Å]	2.050	2.050
Rmerge	0.078
Rmeas	0.088	1.370
Rpim	0.039	0.614
Total number of observations	96755
Number of reflections	20289	1607
<I/σ(I)>	9.5
Completeness [%]	98.3	99.3
Redundancy	4.8	4.7
CC(1/2)	0.997	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.4	290	41% PEG400, 0.05 M sodium acetate, 0.15 M magnesium acetate, 47 mM octyl-glucoside