4NHC
Crystal structure of the HIV-1 neutralizing antibody 4E10 Fab fragment in complex with a hydrocarbon-stapled peptide containing the 4e10 epitope on gp41.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2010-12-04 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 226.107, 226.107, 41.824 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.950 - 2.912 |
R-factor | 0.2128 |
Rwork | 0.210 |
R-free | 0.26810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fx7 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.793 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.950 | 2.960 |
High resolution limit [Å] | 2.910 | 2.910 |
Rmerge | 0.182 | 0.666 |
Number of reflections | 13767 | |
<I/σ(I)> | 16.4 | 3.1 |
Completeness [%] | 95.6 | 70.4 |
Redundancy | 21.9 | 7.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.2 | 295 | Reservoir solution: 0.2 M NaCl, 0.1 M Na/K Phosphate pH 6.2, 50% PEG 200, VAPOR DIFFUSION, SITTING DROP, temperature 22K, temperature 295K |