3NTC
Crystal structure of KD-247 Fab, an anti-V3 antibody that inhibits HIV-1 Entry
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Detector technology | CCD |
| Detector | NOIR-1 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.060, 69.180, 111.760 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.750 - 1.550 |
| R-factor | 0.1836 |
| Rwork | 0.182 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t3f |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.156 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.7L) |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.750 | 19.750 | 1.610 |
| High resolution limit [Å] | 1.550 | 3.330 | 1.550 |
| Rmerge | 0.071 | 0.057 | 0.485 |
| Total number of observations | 45527 | 30153 | |
| Number of reflections | 68504 | ||
| <I/σ(I)> | 11 | 28.2 | 2.4 |
| Completeness [%] | 88.4 | 97.7 | 87.1 |
| Redundancy | 5.56 | 6.11 | 5.02 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 3.9 | 294 | Ammonium Sulfate, Sodium Acetate, pH 3.9, vapor diffusion, sitting drop, temperature 294K |
