4N9U
The role of lysine 200 in the human farnesyl pyrophosphate synthase catalytic mechanism and the mode of inhibition by the 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 | 2009-09-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9796 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.110, 111.110, 69.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.690 - 2.110 |
R-factor | 0.1935 |
Rwork | 0.191 |
R-free | 0.24020 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cp6 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.930 |
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] | 52.090 | 2.200 |
High resolution limit [Å] | 2.110 | 2.110 |
Rmerge | 0.091 | |
Number of reflections | 25619 | |
<I/σ(I)> | 14.7 | |
Completeness [%] | 99.8 | 80.9 |
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 |