9S7M

HIV-1 capsid (M-group) - native in complex with JW3-093

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	2016-06-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97625
Spacegroup name	P 6
Unit cell lengths	92.370, 92.370, 58.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	58.070 - 2.601
R-factor	0.2325
Rwork	0.231
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.200
Data reduction software	XDS (Jan 31, 2020 (BUILT 20200131))
Data scaling software	STARANISO (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]	58.070	2.400
High resolution limit [Å]	2.360	2.360
Rmerge	0.123	1.500
Number of reflections	8556	592
<I/σ(I)>	16.9	1.5
Completeness [%]	100.0	100
Redundancy	20	20.9
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.