5ZPW

Generation of a long-acting fusion inhibitor against HIV-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-23
Detector	RAYONIX MX-225
Wavelength(s)	0.98
Spacegroup name	I 4
Unit cell lengths	84.737, 84.737, 66.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.626 - 2.199
R-factor	0.2409
Rwork	0.240
R-free	0.26260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vu6
RMSD bond length	0.008
RMSD bond angle	1.057
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.184	2.278
High resolution limit [Å]	2.199	2.199
Rmerge	0.097	0.611
Number of reflections	11745
<I/σ(I)>	15.58
Completeness [%]	98.1
Redundancy	7.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	PEG 400, magnesium chloride, 2-[4-(2-Hydroxyethyl)-1-piperazinyl]ethanesulfonic acid