6YVJ
EED in complex with a triazolopyrimidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.92819 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.020, 89.870, 99.140 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.940 - 1.840 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6sfb |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | AMoRE |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.940 | 1.890 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.098 | |
| Rmeas | 0.106 | |
| Rpim | 0.041 | 0.780 |
| Total number of observations | 449506 | |
| Number of reflections | 68048 | 4957 |
| <I/σ(I)> | 14.3 | |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 6.6 | 6.8 |
| CC(1/2) | 0.999 | 0.586 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG3350, 0.1M PCTP pH7.7, 130mM MgCl2 |
