3UIJ
Crystal structure of human Survivin K62Y/H80W mutant in complex with Smac/DIABLO(1-15) peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-06-11 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 114.358, 70.965, 82.348 |
Unit cell angles | 90.00, 129.16, 90.00 |
Refinement procedure
Resolution | 35.483 - 2.705 |
R-factor | 0.2066 |
Rwork | 0.205 |
R-free | 0.24170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f3h |
RMSD bond length | 0.004 |
RMSD bond angle | 0.728 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.055 | 0.512 |
Number of reflections | 13947 | |
<I/σ(I)> | 23.1 | 1.4 |
Completeness [%] | 99.4 | 97.8 |
Redundancy | 3.1 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2 M sodium bromide, 12% PEG 3350, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |