3EYL
Crystal structure of XIAP BIR3 domain in complex with a Smac-mimetic compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-18 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.013 |
Spacegroup name | I 41 3 2 |
Unit cell lengths | 170.423, 170.423, 170.423 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.110 - 3.000 |
R-factor | 0.19111 |
Rwork | 0.189 |
R-free | 0.23877 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3clx |
RMSD bond length | 0.007 |
RMSD bond angle | 1.066 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 3.160 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.092 | 0.667 |
Number of reflections | 8740 | |
<I/σ(I)> | 20.9 | 3.7 |
Completeness [%] | 99.7 | 100 |
Redundancy | 11.6 | 12 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | Mg formate, pH 5.5, VAPOR DIFFUSION, temperature 293K |