7RN5
Discovery of an Anion-Dependent Farnesyltransferase Inhibitor from a Phenotypic Screen
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-07-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 171.115, 171.115, 69.184 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.000 - 2.280 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5m |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless (0.5.9) |
| Phasing software | MOLREP (11.3.02) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 2.287 |
| High resolution limit [Å] | 2.280 | 2.280 |
| Rmerge | 0.118 | 1.434 |
| Number of reflections | 52959 | 525 |
| <I/σ(I)> | 13.9 | 2.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10 | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 298 | PEG 4000, SODIUM ACETATE, KCL |
