6NPR

Crystal structure of H-2Dd with C84-C139 disulfide in complex with gp120 derived peptide P18-I10

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]	63
Detector technology	PIXEL
Collection date	2018-11-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0
Spacegroup name	P 2 21 21
Unit cell lengths	66.990, 105.330, 117.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	78.362 - 2.370
R-factor	0.1817
Rwork	0.178
R-free	0.25090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qo3
RMSD bond length	0.008
RMSD bond angle	0.978
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.362	2.460
High resolution limit [Å]	2.370	2.370
Rmerge	0.130	0.660
Number of reflections	34489	3576
<I/σ(I)>	13.2	4
Completeness [%]	100.0	100
Redundancy	12.6	11.8
CC(1/2)	0.990	0.880

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2M Ammonium acetate, 0.1M Bis-Tris (5.5) and 25%PEG 3350