6P9I
crystal structure of human anti staphylococcus aureus antibody STAU-399 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-10 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.590, 99.874, 93.877 |
| Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
| Resolution | 45.710 - 2.400 |
| R-factor | 0.1879 |
| Rwork | 0.185 |
| R-free | 0.24340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jrp |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.482 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.15.2_3472: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.290 | 2.530 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.087 | 0.581 |
| Number of reflections | 35657 | 5197 |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 100.0 | |
| Redundancy | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 10% PEG 200, 18% PEG 8000, 0.1 M Bis-tris propane pH 9.0 |
