5UKR
Structure of unliganded anti-gp120 CD4bs antibody DH522.2 Fab in complex with a gp120 core
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2016-03-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 50.851, 71.973, 252.228 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.848 - 2.712 |
| R-factor | 0.2061 |
| Rwork | 0.201 |
| R-free | 0.26470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | The starting model for the Fab component was 5UKP. The starting model for the gp120 component was PDB 4R4H. |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.267 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.700 |
| Number of reflections | 25631 |
| <I/σ(I)> | 13.5 |
| Completeness [%] | 98.6 |
| Redundancy | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES pH 6.5, 12% PEG 20,000 |
