4Y1Q

Crystal Structure of HasA mutant Y75A monomer 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	2013-01-22
Detector	RIGAKU JUPITER 210
Wavelength(s)	1.00
Spacegroup name	P 1
Unit cell lengths	69.660, 70.320, 77.030
Unit cell angles	89.35, 89.75, 90.46

Refinement procedure

Resolution	41.846 - 3.100
R-factor	0.2224
Rwork	0.220
R-free	0.27560
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xzd
RMSD bond length	0.003
RMSD bond angle	0.817
Data reduction software	SCALA (3.3.21)
Phasing software	PHASER (2.3.0)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	49.686	49.686	3.270
High resolution limit [Å]	3.100	9.800	3.100
Rmerge		0.033	0.395
Rmeas	0.193
Rpim	0.137	0.033	0.395
Total number of observations	49786	1572	7241
Number of reflections	25512
<I/σ(I)>	5.7	16.1	2
Completeness [%]	96.1	95.8	95.7
Redundancy	2	2	2

Crystallization Conditions

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