5ZQP
Tankyrase-2 in complex with compound 12
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-04-14 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 67.405, 67.405, 115.092 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.700 - 1.990 |
R-factor | 0.174 |
Rwork | 0.173 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zqo |
RMSD bond length | 0.007 |
RMSD bond angle | 0.829 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.660 | 2.040 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmeas | 0.173 | 1.756 |
Rpim | 0.050 | 0.501 |
Number of reflections | 18927 | 1295 |
<I/σ(I)> | 15.1 | 1.7 |
Completeness [%] | 100.0 | 100 |
Redundancy | 11.9 | 12.2 |
CC(1/2) | 0.998 | 0.588 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 0.1M Tris pH 8.5, 2.4M (NH4)2HPO4 |