4U59

Crystal structure of Salmonella alpha-2-macroglobulin reacted with methylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 2
Unit cell lengths	254.960, 82.230, 98.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.732 - 3.090
R-factor	0.2339
Rwork	0.231
R-free	0.28200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4u48
RMSD bond length	0.003
RMSD bond angle	0.684
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]	50.732		3.170
High resolution limit [Å]	3.090	13.820	3.090
Rmerge	0.135	0.027	1.132
Rmeas	0.145	0.030	1.215
Total number of observations	289600
Number of reflections	39003	498	2851
<I/σ(I)>	13.38	47.23	2.05
Completeness [%]	100.0	96.7	100
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	7% PEG 4000, 0.1 M sodium acetate pH 5.2