4OM1

Crystal structure of antibody VRC07-I30Q, G54W, S58N in complex with clade A/E 93TH057 HIV-1 gp120 core

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	2012-03-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	68.039, 76.003, 199.336
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.002 - 2.131
R-factor	0.1919
Rwork	0.191
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ngb
RMSD bond length	0.003
RMSD bond angle	0.725
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.170
High resolution limit [Å]	2.130	2.130
Rmerge	0.091	0.444
Number of reflections	53152
<I/σ(I)>	23.1	2.3
Completeness [%]	90.7	50.7
Redundancy	7.7	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	14% PEG 4000, 0.2M Sodium Acetate, 0.1M Tris 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K