4N1Z
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1222
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 297 |
| Detector technology | CCD |
| Collection date | 2012-11-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97857 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.946, 111.946, 67.284 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.170 - 2.350 |
| R-factor | 0.206 |
| Rwork | 0.203 |
| R-free | 0.26500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ga3 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.893 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 18143 | |
| Completeness [%] | 99.6 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.2 | 293 | 1.2M Na/K phosphate, 25% glycerol, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
