7RNI
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 | 2016-10-06 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000000 |
| Spacegroup name | P 61 |
| Unit cell lengths | 169.058, 169.058, 68.846 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.130 - 1.978 |
| R-factor | 0.1633 |
| Rwork | 0.162 |
| R-free | 0.18540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o5m |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.860 |
| Data reduction software | autoPROC (1.1.7) |
| Data scaling software | autoPROC (1.1.7) |
| Phasing software | MOLREP (11.3.02) |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.130 | 1.985 |
| High resolution limit [Å] | 1.978 | 1.978 |
| Rmerge | 0.113 | 1.137 |
| Number of reflections | 78499 | 798 |
| <I/σ(I)> | 13.4 | 2 |
| Completeness [%] | 100.0 | 97.2 |
| Redundancy | 10.1 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 277 | PEG 4000, SODIUM ACETATE, KCL |
