6XJP
Crystal Structure of KPT-185 bound to CRM1 (537-DLTVK-541 to GLCEQ)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2018-06-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 105.947, 105.947, 305.497 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.995 - 2.802 |
| R-factor | 0.2172 |
| Rwork | 0.215 |
| R-free | 0.26040 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hb2 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.569 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
| High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
| Rmerge | 0.185 | 0.115 | |
| Rmeas | 0.185 | 0.120 | |
| Rpim | 0.056 | 0.030 | 0.608 |
| Total number of observations | 664242 | ||
| Number of reflections | 43873 | 2455 | 2143 |
| <I/σ(I)> | 5 | ||
| Completeness [%] | 100.0 | 99.9 | 100 |
| Redundancy | 15.1 | 15.2 | 13.8 |
| CC(1/2) | 0.987 | 0.656 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | 17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl |
