6W74
Structure of cIAP with compound 15
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-02-03 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99988 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 49.037, 33.651, 57.610 |
Unit cell angles | 90.00, 105.70, 90.00 |
Refinement procedure
Resolution | 27.400 - 2.110 |
R-factor | 0.191 |
Rwork | 0.187 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4kmn |
RMSD bond length | 0.007 |
RMSD bond angle | 0.860 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.400 | 2.116 |
High resolution limit [Å] | 2.100 | 2.107 |
Rmerge | 0.070 | 0.418 |
Number of reflections | 4750 | 63 |
<I/σ(I)> | 9.9 | 2.3 |
Completeness [%] | 88.6 | |
Redundancy | 3.3 | |
CC(1/2) | 0.997 | 0.960 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M Magnesium Acetate Tetrahydrate, 20% w/v PEG3350 |