4JHS

Crystal structure of a C-terminal two domain fragment of human beta-2-glycoprotein 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-19
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97950
Spacegroup name	I 41 3 2
Unit cell lengths	157.790, 157.790, 157.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.000
Rwork	0.207
R-free	0.24960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1c1z
RMSD bond length	0.010
RMSD bond angle	1.370
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	49.898	3.160
High resolution limit [Å]	3.000	9.490	3.000
Rmerge		0.059	0.819
Total number of observations		5088	21340
Number of reflections	7030
<I/σ(I)>	16.9	9.7	1
Completeness [%]	100.0	99.4	100
Redundancy	21.5	18.8	21.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.6	294	100mM sodium acetate trihydrate pH 4.6, 2.0M ammonium sulfate, vapor diffusion, temperature 294K