4J1Z
Tankyrase 2 in complex with 4-chloro-1,2-dihydrophatalzin-one
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2011-03-04 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 95.108, 95.031, 115.521 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 60.000 - 2.000 |
R-factor | 0.1873 |
Rwork | 0.184 |
R-free | 0.24050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kr7 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.871 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 67.220 |
High resolution limit [Å] | 2.000 |
Number of reflections | 35861 |
Completeness [%] | 99.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | vapour diffusion, hanging drop | 8.5 | 277 | 17% PEG 3350, 0.2M Ammonium sulphate, 0.1M Tris pH 8.5, vapour diffusion, hanging drop, temperature 277K |