4FQC

Crystal Structure of PGT121 Fab Bound to a complex-type sialylated N-glycan

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-03-09
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	67.787, 67.787, 94.115
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.656 - 2.400
R-factor	0.2031
Rwork	0.201
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.949
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.656	2.330
High resolution limit [Å]	2.209	2.210
Rmerge		0.691
Number of reflections	20621
<I/σ(I)>	8.7	1.1
Completeness [%]	92.2	65.4
Redundancy	5.3	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.5	298	PEG 10000, Bis Tris HCl, CH3COOHNH4, pH 5.5, vapor diffusion, temperature 298K