5J41
Glutathione S-transferase bound with hydrolyzed Piperlongumine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-03-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97924 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.495, 89.458, 69.001 |
| Unit cell angles | 90.00, 98.23, 90.00 |
Refinement procedure
| Resolution | 22.402 - 1.190 |
| R-factor | 0.1636933887 |
| Rwork | 0.163 |
| R-free | 0.18567 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gus |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.085 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.180 |
| Number of reflections | 152714 |
| <I/σ(I)> | 24.16 |
| Completeness [%] | 99.1 |
| Redundancy | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.6M ammonium sulfate, 100mM MES pH 6.5 |
