7RI1
Crystal structure of anti-HIV llama VHH antibody J3 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 | 2011-06-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 119.090, 119.090, 110.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.200 - 2.550 |
| R-factor | 0.1787 |
| Rwork | 0.176 |
| R-free | 0.22520 |
| 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 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmerge | 0.102 | 0.035 | 0.835 |
| Total number of observations | 209127 | ||
| Number of reflections | 31504 | 1642 | 1550 |
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 99.1 | 93 | 99.8 |
| Redundancy | 6.6 | 5.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M OF HEPES BUFFER PH 7.5 AND 1 M OF LITHIUM SULFATE |
