6X2X
Crystal Structure of Mek1NES peptide bound to CRM1(E571K)
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 | 2017-08-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 106.749, 106.749, 303.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.207 - 2.458 |
| R-factor | 0.2016 |
| Rwork | 0.200 |
| R-free | 0.25000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hb2 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.694 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.096 | 0.042 | |
| Rmeas | 0.098 | 0.042 | |
| Rpim | 0.019 | 0.008 | 0.302 |
| Total number of observations | 2248198 | ||
| Number of reflections | 65125 | 3619 | 2796 |
| <I/σ(I)> | 5.2 | ||
| Completeness [%] | 99.3 | 99.8 | 86.4 |
| Redundancy | 34.5 | 32.7 | 29.8 |
| CC(1/2) | 0.998 | 0.727 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 273 | 17% (weight/vol) PEG3350, 100 mM Bis-Tris (pH 6.4), 200 mM ammonium nitrate, and 10 mM Spermine HCl |
