9S6X

HIV-1 capsid (M-group) - native in complex with JW3-134

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-14
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 6
Unit cell lengths	92.880, 92.880, 57.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.880 - 2.496
R-factor	0.2532
Rwork	0.251
R-free	0.29440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.730
Data reduction software	XDS (Jan 31, 2020 (BUILT 20200131))
Data scaling software	XSCALE (Jan 31, 2020 (BUILT 20200131))
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.880	2.650
High resolution limit [Å]	2.500	2.500
Rmerge	0.097
Number of reflections	9844	1552
<I/σ(I)>	10.54
Completeness [%]	99.4
Redundancy	4.5
CC(1/2)	0.999	0.342

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	9.5-11% PEG 3350 (v/v), 250-350 mM NaI, 100 mM Sodium Cacodylate [pH 6.5]. Crystals grew in 1 uL protein (3 mg/mL) + 1 uL crystallant. Cryoprotected in 20% (v/v) Glycerol.