3MLY
Crystal structure of anti-HIV-1 V3 Fab 3074 in complex with a UR29 V3 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 | IMAGE PLATE |
| Collection date | 2008-02-21 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 59.948, 128.787, 60.096 |
| Unit cell angles | 90.00, 92.54, 90.00 |
Refinement procedure
| Resolution | 30.511 - 1.700 |
| R-factor | 0.1824 |
| Rwork | 0.181 |
| R-free | 0.21520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.138 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.6.1_357) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 500.000 | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
| Rmerge | 0.076 | 0.066 | 0.235 |
| Number of reflections | 96835 | ||
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 96.9 | 99.7 | 91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 296 | 20% PEG 3350, 0.2 M NH4 citrate dibasic, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
