5KA5

HIV-1 gp41 variant V549E resistance mutation

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	2012-12-10
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.03320
Spacegroup name	H 3
Unit cell lengths	40.716, 40.716, 115.521
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	17.998 - 1.800
R-factor	0.1939
Rwork	0.187
R-free	0.22250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aik
RMSD bond length	0.002
RMSD bond angle	0.321
Data reduction software	DIALS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.064	0.597
Number of reflections	13238
<I/σ(I)>	6.3	1.3
Completeness [%]	99.8	99.5
Redundancy	2.8	2.8
CC(1/2)	0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	3M Sodium chloride, 0.1M Sodium Acetate Sample concentration: 6 mg/ml