5F4R

HIV-1 gp120 complex with BNW-IV-147

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	180
Detector technology	CCD
Collection date	2015-09-06
Detector	MAR CCD 130 mm
Wavelength(s)	1.00004
Spacegroup name	C 2 2 21
Unit cell lengths	67.679, 127.357, 192.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.016 - 2.800
R-factor	0.259
Rwork	0.257
R-free	0.29650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgr
RMSD bond length	0.004
RMSD bond angle	1.036
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall
Low resolution limit [Å]	48.016
High resolution limit [Å]	2.800
Rmerge	0.117
Number of reflections	20923
<I/σ(I)>	13.2
Completeness [%]	99.8
Redundancy	7.25

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		290	PEG 1500, calcium chloride, imidazole