8G8A

Crystal structure of DH1317.8 Fab in complex with HIV proximal MPER peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-04-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	164.976, 63.840, 111.971
Unit cell angles	90.00, 101.06, 90.00

Refinement procedure

Resolution	41.890 - 2.440
R-factor	0.2238
Rwork	0.222
R-free	0.25590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nrx
RMSD bond length	0.005
RMSD bond angle	0.848
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.530
High resolution limit [Å]	2.440	2.440
Rmerge	0.067	0.610
Number of reflections	40649	3324
<I/σ(I)>	16.8
Completeness [%]	94.8	77.4
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	20.1% Isopropanol, 10.05% PEG 8000, and 0.1M Imidazole/Hydrochloric acid pH 6.5