2F8C
Crystal structure of FPPS in complex with Zoledronate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 95 |
Detector technology | CCD |
Collection date | 2003-11-27 |
Detector | MARRESEARCH |
Wavelength(s) | 1.00003 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.841, 111.841, 66.039 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 56.870 - 2.200 |
R-factor | 0.222 |
Rwork | 0.217 |
R-free | 0.26800 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.100 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNX (2002) |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.055 | 0.423 |
Number of reflections | 21820 | |
<I/σ(I)> | 10.8 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 14.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 1.2M sodium potassium phosphate, 25% glycerol, pH 4.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K |