6X2R
Crystal Structure of the 4E-TNES peptide bound to CRM1
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 | 2019-03-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | .9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 106.602, 106.602, 303.674 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.019 - 2.299 |
R-factor | 0.2231 |
Rwork | 0.222 |
R-free | 0.25700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hb2 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.691 |
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 | 2.340 |
High resolution limit [Å] | 2.299 | 6.240 | 2.300 |
Rmerge | 0.160 | 0.055 | 3.312 |
Rmeas | 0.165 | 0.056 | 3.423 |
Rpim | 0.040 | 0.014 | 0.845 |
Number of reflections | 78790 | 4340 | 3852 |
<I/σ(I)> | 4.2 | ||
Completeness [%] | 99.9 | 99.9 | 99.9 |
Redundancy | 15.8 | 16.1 | 14.4 |
CC(1/2) | 0.999 | 0.505 |
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 |