7N0X

Rhesusized RV144 DH827 Fab bound to HIV-1 Env V2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	81.512, 71.865, 87.740
Unit cell angles	90.00, 111.42, 90.00

Refinement procedure

Resolution	52.180 - 2.000
R-factor	0.1823
Rwork	0.181
R-free	0.20940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5fcu
RMSD bond length	0.007
RMSD bond angle	0.886
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.17.1_3660: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.660	2.100
High resolution limit [Å]	1.990	1.990
Rpim	0.053	0.265
Number of reflections	61001	4384
<I/σ(I)>	5.3	1.5
Completeness [%]	99.5	99.5
Redundancy	4	4
CC(1/2)	0.995	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	294	16.75% PEG 3350 10.05% isopropanol 0.2 M ammonium citrate/citric acid pH 4.5