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 |