6SFB
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 | 2017-01-23 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.308, 89.786, 98.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.150 - 1.520 |
| R-factor | 0.188 |
| Rwork | 0.187 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | AMoRE |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.600 | 1.600 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 118833 | 8123 |
| <I/σ(I)> | 13.7 | 1.1 |
| Completeness [%] | 96.4 | |
| Redundancy | 2.7 | |
| CC(1/2) | 0.999 | 0.573 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 23% PEG3350, 0.1 M PCTP pH 8.5, 200 mM MgCl2, 10 mM TCEP |
