4FQ1

Crystal Structure of PGT121 Fab

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	2011-12-03
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	56.753, 74.672, 114.917
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.510 - 3.000
R-factor	0.218
Rwork	0.216
R-free	0.26400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.971
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.306	2.930
High resolution limit [Å]	2.776	2.780
Rmerge		0.293
Number of reflections	12460
<I/σ(I)>	8.8	2.7
Completeness [%]	96.7	84.8
Redundancy	3.2	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5	298	PEG 4000, Tris HCl, CuCl2, pH 8.5, vapor diffusion, temperature 298K