9S6V

HIV-1 capsid (M-group) - native in complex with JW3-094

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)	0.97625
Spacegroup name	P 6
Unit cell lengths	92.920, 92.920, 58.000
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.240 - 2.363
R-factor	0.2365
Rwork	0.235
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.240
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]	40.240	2.400
High resolution limit [Å]	2.360	2.360
Rmerge	0.123
Number of reflections	11848	595
<I/σ(I)>	16.9
Completeness [%]	100.0
Redundancy	20.2
CC(1/2)	1.000	0.634

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.