3MLZ

Crystal structure of anti-HIV-1 V3 Fab 3074 in complex with a VI191 V3 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2007-07-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9791
Spacegroup name	P 65 2 2
Unit cell lengths	100.413, 100.413, 177.757
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.970 - 2.990
R-factor	0.198
Rwork	0.191
R-free	0.33000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.646
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	2.990	6.460	2.990
Rmerge	0.162	0.067	0.494
Number of reflections	11328
<I/σ(I)>	7.4
Completeness [%]	100.0	100	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	296	1.49 M NH4 sulfate, 0.1 M NaCl, 0.1 M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K