4J45
Crystal structure of XIAP-BIR2 domain with ATAA bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-10-21 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 74.504, 74.504, 108.799 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.840 - 1.480 |
R-factor | 0.17425 |
Rwork | 0.172 |
R-free | 0.21590 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4j3y |
RMSD bond length | 0.016 |
RMSD bond angle | 1.689 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.000 | 1.560 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmerge | 0.047 | 0.479 |
Number of reflections | 25875 | |
<I/σ(I)> | 26.1 | 5.2 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 12.7 | 13.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | 1.7-1.9 M ammonium sulfate, 125 mM bis-tris propane, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 292K |