6ONV

Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-III-027-D05.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97946
Spacegroup name	P 21 21 21
Unit cell lengths	66.256, 67.208, 86.449
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.128 - 3.253
R-factor	0.2111
Rwork	0.208
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3tgt
RMSD bond length	0.006
RMSD bond angle	0.957
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.310
High resolution limit [Å]	3.250	3.250
Rmerge	0.213	0.866
Rpim	0.108	0.513
Number of reflections	4355	211
<I/σ(I)>	12.6	1.6
Completeness [%]	67.6	65.9
Redundancy	4.4	4.1
CC(1/2)	0.960	0.450

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	294	10% PEG 1500 5% PEG 400 0.1M HEPES pH 7.5