4KFA
Crystal structure of human farnesyl pyrophosphate synthase (t201a mutant) complexed with mg and zoledronate
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 | 111.200, 111.200, 67.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.070 - 1.980 |
R-factor | 0.182 |
Rwork | 0.181 |
R-free | 0.20130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cp6 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.870 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.070 | 2.180 | 2.090 |
High resolution limit [Å] | 1.980 | 2.100 | 1.980 |
Rmerge | 0.118 | 0.618 | 0.049 |
Number of reflections | 29896 | ||
<I/σ(I)> | 10.7 | 1.9 | 34.3 |
Completeness [%] | 100.0 | 93.4 | 97.7 |
Redundancy | 8 | 7.7 | 8.5 |
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 |