6XLQ
Crystal Structure of the Human BTN3A1 Ectodomain in Complex with the CTX-2026 Fab
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-10-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 111.309, 159.850, 188.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.174 - 3.000 |
| R-factor | 0.2485 |
| Rwork | 0.246 |
| R-free | 0.29570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f80 |
| Data reduction software | MOSFLM |
| Data scaling software | MOSFLM |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.200 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.210 | 0.124 |
| Rmeas | 0.176 | |
| Rpim | 0.124 | |
| Number of reflections | 67082 | 6381 |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 98.9 | 98.7 |
| Redundancy | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.1 | 293 | 100 mM Bis-Tris pH 7.1, 0.2 M NaBr, 17% PEG 3350 |
