4Y4S

Crystal Structure of Y75A HasA dimer from Yersinia pseudotuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B1
Synchrotron site	SPring-8
Beamline	BL26B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-13
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.000
Spacegroup name	P 43 21 2
Unit cell lengths	52.760, 52.760, 140.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.953 - 1.750
R-factor	0.2051
Rwork	0.203
R-free	0.23970
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.657
Data scaling software	SCALA (3.3.20)
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.395	32.953	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.031	0.505
Rmeas	0.098
Rpim	0.027	0.010	0.185
Total number of observations	260147	8699	23518
Number of reflections	20936
<I/σ(I)>	18.2	53.7	3.6
Completeness [%]	100.0	99.4	99.9
Redundancy	12.4	11	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	1 M Bicine pH 9.0, 1.8 M Ammnonium acetate