5JLJ
Crystal Structure of KPT8602 in complex with CRM1-Ran-RanBP1
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 | 2014-02-21 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 105.929, 105.929, 305.135 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.500 |
R-factor | 0.1976 |
Rwork | 0.196 |
R-free | 0.23200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4hb2 |
RMSD bond length | 0.008 |
RMSD bond angle | 0.732 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 6.780 | 2.500 |
Rmerge | 0.085 | 0.018 | 0.877 |
Rmeas | 0.093 | ||
Rpim | 0.036 | ||
Total number of observations | 388048 | ||
Number of reflections | 60851 | ||
<I/σ(I)> | 7.5 | ||
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 6.4 | 5.8 | 6.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 298 | 17% PEG3350, 100mM Bis-Tris pH6.6, 200mM Ammounium Nitrate |