3UJI
Crystal structure of anti-HIV-1 V3 Fab 2558 in complex with MN peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4C |
| Synchrotron site | NSLS |
| Beamline | X4C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97854 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.351, 73.097, 88.662 |
| Unit cell angles | 90.00, 121.98, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.1626 |
| Rwork | 0.161 |
| R-free | 0.19378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.633 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.431 | |
| Number of reflections | 72608 | |
| <I/σ(I)> | 29.1 | |
| Completeness [%] | 99.2 | 98.4 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 296 | 85mM Hepes-Na, 15% Glycerol, 17% PEG 4k, 8.5% Isopropanol, pH 7.5, EVAPORATION, temperature 296K |
