6IN7

Crystal structure of AlgU in complex with MucA(cyto)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.977853
Spacegroup name	P 21 21 21
Unit cell lengths	54.784, 72.256, 81.721
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.505 - 1.960
R-factor	0.1789
Rwork	0.178
R-free	0.20110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1or7
RMSD bond length	0.006
RMSD bond angle	0.779
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.990
High resolution limit [Å]	1.960	1.960
Rpim	0.090	0.276
Number of reflections	23934	1053
<I/σ(I)>	27.9	9.2
Completeness [%]	99.5	90.6
Redundancy	6.2	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	2.0 M ammonium sulfate,0.1 M cacodylate pH 6.5, 0.2M sodium chloride