3CP6
Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-08 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97900 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 112.531, 112.531, 62.919 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.460 - 1.950 |
| R-factor | 0.19725 |
| Rwork | 0.195 |
| R-free | 0.24321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qis |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.404 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.260 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.114 | 0.612 |
| Number of reflections | 28451 | |
| <I/σ(I)> | 9.7 | 2.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M NH4Cl, 20% PEG 6000, 10% Ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
