3DRO
Crystal structure of the HIV-1 Cross Neutralizing Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN grown in ammonium sulfate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-10 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.900, 76.500, 93.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 16.960 - 3.900 |
R-factor | 0.222 |
Rwork | 0.222 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2p8m |
RMSD bond length | 0.010 |
RMSD bond angle | 2.100 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | CNS |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.000 | 4.140 |
High resolution limit [Å] | 3.900 | 3.900 |
Rmerge | 0.282 | 0.514 |
Number of reflections | 4156 | |
Completeness [%] | 93.7 | 90.9 |
Redundancy | 6.01 | 5.69 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 293 | Fab fragment and peptide are incubated in a solution containing 0.01% Tween-20. Crystals are obatined from reservoir solution containing 0.1 M Nacitrate pH 5.6, 1.6 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |