8QUK

Hexameric HIV-1 CA in complex with DDD00100439

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-07-16
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976
Spacegroup name	P 6
Unit cell lengths	90.610, 90.610, 56.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.310 - 1.380
R-factor	0.17796
Rwork	0.177
R-free	0.20299
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.028
RMSD bond angle	2.178
Data reduction software	XDS
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.310	1.400
High resolution limit [Å]	1.380	1.380
Rmerge	0.040	0.640
Number of reflections	51571	1712
<I/σ(I)>	24	1.6
Completeness [%]	94.4	63.2
Redundancy	7.9	2.4
CC(1/2)	0.990	0.580

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	290	0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN