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 |