5TTW
Crystal Structure of EED in Complex with UNC4859
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-07-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 176.486, 56.212, 76.687 |
| Unit cell angles | 90.00, 105.33, 90.00 |
Refinement procedure
| Resolution | 85.100 - 1.740 |
| R-factor | 0.1693 |
| Rwork | 0.167 |
| R-free | 0.21390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 3K26 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.871 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.100 | 85.100 | 1.770 |
| High resolution limit [Å] | 1.740 | 9.040 | 1.740 |
| Rmerge | 0.114 | 0.034 | 1.475 |
| Rmeas | 0.134 | ||
| Rpim | 0.069 | ||
| Total number of observations | 274004 | ||
| Number of reflections | 74365 | ||
| <I/σ(I)> | 8.5 | ||
| Completeness [%] | 99.7 | 99.5 | 95.6 |
| Redundancy | 3.7 | 3.5 | 3.4 |
| CC(1/2) | 0.995 | 0.998 | 0.282 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 291.15 | 20% PEG3350, 0.1 M ammonium sulfate, 0.1M Bis Tris pH 5.5 |
