8QUI

Hexameric HIV-1 CA in complex with DDD00024969

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	91.805, 91.805, 57.590
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.800 - 1.690
R-factor	0.17529
Rwork	0.173
R-free	0.21618
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	2.120
Data reduction software	XDS
Data scaling software	autoPROC
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.800	1.730
High resolution limit [Å]	1.690	1.690
Rmerge	0.059	0.620
Number of reflections	31130	2247
<I/σ(I)>	20.4	2.6
Completeness [%]	99.8	98.6
Redundancy	9.2	6.5
CC(1/2)	0.990	0.780

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