5TEO

Dimer of HIV-1 Gag CTD-SP1 fragment

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-13
Detector	MARRESEARCH
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	42.741, 40.474, 50.450
Unit cell angles	90.00, 100.74, 90.00

Refinement procedure

Resolution	31.350 - 2.046
R-factor	0.2033
Rwork	0.201
R-free	0.24410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a43
RMSD bond length	0.002
RMSD bond angle	0.436
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (1.10.1_2155)
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	2.430	2.120
High resolution limit [Å]	2.046	2.310	2.046
Rmerge	0.104	0.358	0.595
Number of reflections	9038
<I/σ(I)>	10.03	2.34	1.14
Completeness [%]	82.7	82.8	33.4
Redundancy	3.2	2.7	1.7
CC(1/2)		0.818	0.557

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		290	20% PEG 3350, 0.1-0.2M dibasic ammonium phosphate