6O3D

Crystal structure of the unbound Fab fragment of the human HIV-1 neutralizing antibody PGZL1.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-12
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	C 1 2 1
Unit cell lengths	87.590, 96.021, 67.325
Unit cell angles	90.00, 120.18, 90.00

Refinement procedure

Resolution	37.035 - 1.402
R-factor	0.1481
Rwork	0.146
R-free	0.18120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fx7
RMSD bond length	0.015
RMSD bond angle	1.391
Data reduction software	HKL-2000 (2.3.10)
Data scaling software	HKL-2000 (2.3.10)
Phasing software	PHASER (2.3.10)
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.048	1.420
High resolution limit [Å]	1.400	1.400
Rpim	0.052	0.609
Number of reflections	89730	3906
<I/σ(I)>	7.8	1.4
Completeness [%]	95.4	83.2
Redundancy	3.3	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293	Reservoir: 20% PEG 4000, 20% glycerol, 0.08 M sodium acetate pH 4.6, 0.16 M ammonium sulfate