3MLR
Crystal structure of anti-HIV-1 V3 Fab 2557 in complex with a NY5 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 | 2007-03-11 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.9792 |
Spacegroup name | P 1 |
Unit cell lengths | 42.414, 43.076, 58.212 |
Unit cell angles | 87.86, 85.50, 85.82 |
Refinement procedure
Resolution | 50.000 - 1.800 |
Rwork | 0.181 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 1.421 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 500.000 | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.053 | 0.039 | 0.131 |
Number of reflections | 37562 | ||
<I/σ(I)> | 19.5 | ||
Completeness [%] | 97.6 | 99.2 | 96.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 296 | 25% PEG 3350, 0.2 M NH4 acetate, 0.1 M Tris, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 296K |