4U48

Crystal structure of Salmonella alpha-2-macroglobulin

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	2012-11-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97939
Spacegroup name	P 21 21 2
Unit cell lengths	255.550, 82.180, 99.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.707 - 2.950
R-factor	0.2265
Rwork	0.224
R-free	0.26450
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.751
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]	56.707		3.030
High resolution limit [Å]	2.950	13.190	2.950
Rmerge	0.109	0.054	0.753
Rmeas	0.119	0.059	0.824
Total number of observations	524432
Number of reflections	44869	949	6141
<I/σ(I)>	11.06	28.22	2.01
Completeness [%]	99.9	98.8	98.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	4% PEG 4000, 0.1 M sodium acetate pH 5.2