6B2J

E45A mutant of HIV-1 capsid protein (other crystal form)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033200
Spacegroup name	P 6
Unit cell lengths	92.493, 92.493, 57.748
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.000 - 2.210
R-factor	0.2033
Rwork	0.202
R-free	0.22330
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.062
Data reduction software	Aimless (0.5.24)
Data scaling software	Aimless (0.5.24)
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.000	46.840	2.280
High resolution limit [Å]	2.210	9.110	2.210
Rmerge	0.084	0.047	1.320
Rmeas	0.089	0.050	1.385
Rpim	0.027	0.016	0.417
Number of reflections	14252	223	1218
<I/σ(I)>	17.6
Completeness [%]	99.9	99.6	99.2
Redundancy	11.3	10.1	10.7
CC(1/2)	0.999	0.999	0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	PEG3350, NaI, MIB, Glycerol