9S6W

HIV-1 capsid (M-group) - native in complex with JW3-100

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	2019-07-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.98400
Spacegroup name	P 6
Unit cell lengths	92.880, 92.880, 57.610
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	80.440 - 2.074
R-factor	0.2642
Rwork	0.263
R-free	0.29790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.840
Data reduction software	XDS (Jan 31, 2020 (BUILT 20200131))
Data scaling software	STARANISO (2.3.28 (20200301))
Phasing software	PHASER (2.8.3)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.440	2.190
High resolution limit [Å]	2.070	2.070
Number of reflections	13593	675
<I/σ(I)>	0.133
Completeness [%]	78.4
Redundancy	27.5
CC(1/2)	0.999	0.490

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	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.