7KLC

Crystal structure of M4H2K1 Fab bound to HIV-1 BG505 gp120 core and to 17b Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.033
Spacegroup name	P 21 21 2
Unit cell lengths	204.060, 60.633, 166.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.040 - 4.300
R-factor	0.3034
Rwork	0.302
R-free	0.33440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB entries 6ONF & 1GC1
RMSD bond length	0.004
RMSD bond angle	0.835
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	4.370
High resolution limit [Å]	4.300	4.300
Number of reflections	12843	280
<I/σ(I)>	13
Completeness [%]	86.8
Redundancy	8.5
CC(1/2)	0.860	0.390

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	0.1M Tris, pH 7, 1.825 M ammonium sulfate, 0.29 M lithium sulfate, 15% ethylene glycol