7RI2
Crystal structure of anti-HIV llama VHH antibody A12 in complex with HIV-1 C1086 gp120
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 66.596, 66.596, 266.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.550 - 2.800 |
| R-factor | 0.2759 |
| Rwork | 0.273 |
| R-free | 0.32960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ngb |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19-4092) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 5.600 | 2.600 |
| Rmerge | 0.124 | 0.089 | 0.445 |
| Total number of observations | 172947 | ||
| Number of reflections | 15260 | 2093 | 758 |
| <I/σ(I)> | 9 | ||
| Completeness [%] | 77.7 | 95.4 | 39.8 |
| Redundancy | 11.3 | 12.5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 50 mM of KH2PO4, 24.2% PEG 8000, pH 7.8 |
