5U3O
Crystal Structure of DH511.2_K3 Fab in Complex with HIV-1 gp41 MPER Peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-03-19 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 62.721, 101.857, 176.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.876 - 1.761 |
| R-factor | 0.1622 |
| Rwork | 0.161 |
| R-free | 0.19230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5u3l |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.758 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.876 | 50.000 | 1.800 |
| High resolution limit [Å] | 1.760 | 4.340 | 1.760 |
| Rmerge | 0.114 | 0.061 | 0.596 |
| Rmeas | 0.128 | ||
| Rpim | 0.056 | ||
| Total number of observations | 285952 | ||
| Number of reflections | 55786 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 98.5 | 98.9 | 79.9 |
| Redundancy | 5.1 | 5.3 | 3.6 |
| CC(1/2) | 0.994 | 0.713 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 293 | 7% Isopropanol, 20% PEG 3350, 0.2 M Ammonium citrate pH 4.5 |
