9N8Q
Crystal structure of Trastuzumab Fab with P151A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-01-13 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 99.191, 99.191, 211.338 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.000 - 2.600 |
| R-factor | 0.2163 |
| Rwork | 0.213 |
| R-free | 0.27760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.957 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.890 | 2.160 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rpim | 0.037 | 6.240 |
| Number of reflections | 35686 | 1756 |
| <I/σ(I)> | 12.8 | 0.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 39.8 | 40.4 |
| CC(1/2) | 0.990 | 0.340 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.019M Disodium ATP, 0.1M Sodium Cacodylate pH 6.5, 18.6% w/v PEG 10,000 |
