4XCF
Crystal structure of human 4E10 Fab in complex with its peptide epitope on HIV-1 gp41; crystals cryoprotected with phosphatidylcholine (03:0 PC)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2011-07-22 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.03317 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 156.760, 44.588, 85.153 |
| Unit cell angles | 90.00, 113.53, 90.00 |
Refinement procedure
| Resolution | 35.930 - 1.430 |
| R-factor | 0.1383 |
| Rwork | 0.137 |
| R-free | 0.16990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2fx7 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.598 |
| Data reduction software | HKL-2000 (0.98.701) |
| Data scaling software | HKL-2000 (0.98.701) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.930 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.506 | |
| Number of reflections | 93375 | |
| <I/σ(I)> | 14.8 | 1.5 |
| Completeness [%] | 93.1 | 53.6 |
| Redundancy | 3.4 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 293 | The complex grew from 1:1 protein:reservoir solution sitting drops equilibrated against 20% PEG 8000, 0.2 M sodium acetate, pH 5.5, 0.2 M sodium thiocyanate |
