7LSG
Crystal structure of the human neutralizing antibody Fab fragment T025 bound to TBEV EDIII (Siberian Subtype)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.439, 67.230, 91.160 |
| Unit cell angles | 90.00, 94.81, 90.00 |
Refinement procedure
| Resolution | 49.060 - 1.860 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.21230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ogx 6j5f |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.436 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 90.840 | 90.840 | 1.910 |
| High resolution limit [Å] | 1.860 | 8.940 | 1.860 |
| Rmerge | 0.113 | 0.079 | 1.091 |
| Rmeas | 0.123 | 0.086 | 1.197 |
| Rpim | 0.049 | 0.033 | 0.483 |
| Total number of observations | 320468 | 3245 | 21062 |
| Number of reflections | 53401 | 526 | 3528 |
| <I/σ(I)> | 8.5 | 18.5 | 1.6 |
| Completeness [%] | 95.8 | 94.9 | 98.1 |
| Redundancy | 6 | 6.2 | 6 |
| CC(1/2) | 0.995 | 0.994 | 0.722 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 5% (+/-)-2-Methyl-2,4-pentanediol, 0.1M HEPES pH 7.5, 10% PEG 10000 |
