7UEL

Genetic and structural basis for the human anti-alpha-galactosyl antibody response

Replaces:  6NUZ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-12-05
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	73.540, 71.370, 95.821
Unit cell angles	90.00, 104.94, 90.00

Refinement procedure

Resolution	37.680 - 1.900
R-factor	0.1714
Rwork	0.169
R-free	0.21550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	generic Fab
RMSD bond length	0.013
RMSD bond angle	1.311
Data reduction software	MOSFLM
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER (2.7.17)
Refinement software	PHENIX (1.11.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.680	37.680	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.083	0.024	0.849
Rmeas	0.090	0.026	0.917
Rpim	0.033	0.010	0.343
Total number of observations		2258	17052
Number of reflections	37838	362	2425
<I/σ(I)>	15.7	48.3	2.2
Completeness [%]	100.0	98.4	100
Redundancy	7.2	6.2	7
CC(1/2)	0.999	0.999	0.763

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	Equal volumes of protein (in 25 mM Tris (pH 8.0) and 100 mM NaCl) and well solution (100 mM HEPES (pH 7.4), 65% (v/v) 2-methyl-2,4-pentanediol (MPD)) were combined.