6R8C

HIV capsid hexamer with IP5 ligand

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-04
Detector	OXFORD SAPPHIRE CCD
Wavelength(s)	0.978
Spacegroup name	P 6
Unit cell lengths	90.663, 90.663, 56.997
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.690 - 1.920
R-factor	0.19308
Rwork	0.191
R-free	0.23426
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6es8
RMSD bond length	0.010
RMSD bond angle	1.652
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.520	1.980
High resolution limit [Å]	1.913	1.930
Rmerge	0.056	0.620
Number of reflections	20758	1240
<I/σ(I)>	17.7	2.6
Completeness [%]	99.3	90
Redundancy	6.5	6
CC(1/2)	0.998	0.883

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE		270	PEG 6K, 1M NaCl