4NKE
The effects of Lysine 200 and Phenylalanine 239 Farnesyl Pyrophosphate Synthase (FPPS) mutations on the catalytic activity, crystal structure and inhibition by nitrogen containing bisphosphonates
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 111.260, 111.260, 66.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.390 - 1.460 |
| R-factor | 0.1808 |
| Rwork | 0.180 |
| R-free | 0.19970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cp6 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.870 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.090 | 1.540 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.118 | |
| Number of reflections | 72107 | |
| <I/σ(I)> | 13.1 | |
| Completeness [%] | 99.3 | 97 |
| Redundancy | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2 M NH4Cl, PEG6000, 10% Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
