4IC3
Crystal structure of the F495L mutant XIAP RING domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 113 |
| Detector technology | CCD |
| Collection date | 2011-06-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.735, 48.471, 39.967 |
| Unit cell angles | 90.00, 97.47, 90.00 |
Refinement procedure
| Resolution | 18.341 - 1.783 |
| R-factor | 0.1783 |
| Rwork | 0.176 |
| R-free | 0.22160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3eb5 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.085 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 18.410 | 1.880 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.090 | 0.496 |
| Number of reflections | 12946 | |
| <I/σ(I)> | 11.5 | 3.2 |
| Completeness [%] | 99.4 | 96.5 |
| Redundancy | 4.9 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 100mM Tris-HCl, 20% MME PEG2000, 10mM NiCl2, 1mM TCEP, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
