5JQB
Crystal structure of Ebola glycoprotein in complex with ibuprofen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-26 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9700 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 113.760, 113.760, 306.150 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 82.840 - 2.680 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jq3 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.241 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.840 | 2.750 |
| High resolution limit [Å] | 2.680 | 2.680 |
| Rmerge | 0.129 | |
| Number of reflections | 21842 | |
| <I/σ(I)> | 14.7 | 1.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.8 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 9% (w/v) PEG 6000 and 0.1 M Sodium citrate tribasic dihydrate |
