4U4J

Crystal structure of Salmonella alpha-2-macroglobulin mutant Y1175G

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-16
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97939
Spacegroup name	P 21 21 2
Unit cell lengths	254.240, 82.160, 98.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.989 - 2.900
R-factor	0.2457
Rwork	0.244
R-free	0.28410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u48
RMSD bond length	0.003
RMSD bond angle	0.787
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	58.989		2.980
High resolution limit [Å]	2.900	12.970	2.900
Rmerge	0.082	0.035	0.963
Rmeas	0.089	0.039	1.045
Total number of observations	307501
Number of reflections	46790	606	3358
<I/σ(I)>	13.97	31.41	1.93
Completeness [%]	99.8	97.9	98.7
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	2.5% PEG 4000, 0.1 M sodium acetate pH 4.8