7LUD
Crystal structure of Fab ADI-14442
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2017-08-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.879, 158.669, 60.180 |
| Unit cell angles | 90.00, 104.80, 90.00 |
Refinement procedure
| Resolution | 50.160 - 2.900 |
| Rwork | 0.194 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ddr |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.630 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 20217 | 3321 |
| <I/σ(I)> | 6 | 1.8 |
| Completeness [%] | 96.9 | |
| Redundancy | 3.1 | |
| CC(1/2) | 0.961 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.8 M ammonium sulfate, 0.09 M HEPES pH 7.5 and 0.05% ethyl acetate |
