6XJT
Crystal Structure of KPT-8602 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 | 2017-06-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 106.675, 106.675, 306.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.545 - 2.406 |
R-factor | 0.1956 |
Rwork | 0.194 |
R-free | 0.24610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hb2 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.214 |
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 | 2.440 |
High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
Rmerge | 0.136 | 0.047 | |
Rmeas | 0.140 | 0.049 | |
Rpim | 0.056 | 0.012 | 0.939 |
Total number of observations | 1152244 | ||
Number of reflections | 69620 | 3846 | 3399 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 16.6 | 15.8 | 16.4 |
CC(1/2) | 0.999 | 0.576 |
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 |