9R1L
X-ray crystal structure of a de novo designed SN38 binder, sc-apCC-4-SN38-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2025-03-28 |
| Detector | DECTRIS EIGER2 X CdTe 9M |
| Wavelength(s) | 0.6199 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 27.763, 37.581, 54.860 |
| Unit cell angles | 90.00, 101.16, 90.00 |
Refinement procedure
| Resolution | 27.240 - 1.850 |
| R-factor | 0.2063 |
| Rwork | 0.206 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.568 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 27.240 | 1.916 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Number of reflections | 9615 | 912 |
| <I/σ(I)> | 14.39 | 1.3 |
| Completeness [%] | 99.7 | 98.59 |
| Redundancy | 4.5 | 4.4 |
| CC(1/2) | 0.999 | 0.876 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 293 | 0.1 M SPG buffer pH 6.0, 25 % w/v PEG 1500 |
