8GH7
142D6 bound to BIR3-XIAP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | .97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 34.171, 55.150, 93.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.560 - 1.750 |
R-factor | 0.1791 |
Rwork | 0.177 |
R-free | 0.20910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.644 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.19.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.780 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmeas | 0.158 | 0.763 |
Rpim | 0.059 | |
Number of reflections | 18803 | 1695 |
<I/σ(I)> | 13.4 | |
Completeness [%] | 98.9 | 98.9 |
Redundancy | 3.6 | 5.7 |
CC(1/2) | 0.972 | 0.846 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5, 35% isopropanol and 18% PEG 4000 |