5DGN
Crystal structure of human FPPS in complex with compound 13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-08-15 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 110.462, 110.462, 76.371 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.570 - 2.080 |
R-factor | 0.1935 |
Rwork | 0.190 |
R-free | 0.22840 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | XDS (December 2004) |
Data scaling software | XSCALE (December 2003) |
Phasing software | CNX (2005) |
Refinement software | BUSTER-TNT (1.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.000 | 2.150 | |
High resolution limit [Å] | 2.080 | 10.500 | 2.080 |
Rmerge | 0.117 | 0.053 | 0.490 |
Rmeas | 0.122 | 0.056 | 0.523 |
Total number of observations | 346184 | ||
Number of reflections | 28256 | 201 | 2262 |
<I/σ(I)> | 14.63 | 31.96 | 4 |
Completeness [%] | 97.6 | 71.5 | 84.9 |
Redundancy | 12.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |