6UUL

Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.033
Spacegroup name	P 21 21 21
Unit cell lengths	92.731, 97.870, 125.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.370 - 2.060
R-factor	0.2027
Rwork	0.201
R-free	0.24550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wl2
RMSD bond length	0.003
RMSD bond angle	0.593
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.060	2.070
Rpim	0.050	0.790
Number of reflections	71245	6892
<I/σ(I)>	22.8	1
Completeness [%]	99.8
Redundancy	11.7
CC(1/2)	0.880	0.560

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.095M sodium citrate-citric acid (pH=6.2), 16%(v/v) 2-propanol, 5% (v/v) glycerol, 17%(w/v) PEG4000