6L8T
Crystal structure of the Fab fragment of a humanized HBV therapeutic antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2015-11-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.942, 75.943, 137.550 |
| Unit cell angles | 90.00, 103.24, 90.00 |
Refinement procedure
| Resolution | 26.537 - 1.766 |
| R-factor | 0.1663 |
| Rwork | 0.165 |
| R-free | 0.19230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mau |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.008 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 10.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 4.780 | 1.760 |
| Rmerge | 0.057 | 0.033 | 0.653 |
| Rmeas | 0.067 | 0.039 | 0.766 |
| Rpim | 0.034 | 0.020 | 0.397 |
| Total number of observations | 568776 | ||
| Number of reflections | 152195 | 7570 | 7519 |
| <I/σ(I)> | 11.4 | ||
| Completeness [%] | 99.6 | 96.1 | 99.9 |
| Redundancy | 3.7 | 3.7 | 3.7 |
| CC(1/2) | 0.997 | 0.684 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.2 M ammonium acetate, 20% (w/v) PEG 3350 |
