5DGM
Crystal structure of human FPPS in complex with monophosphonate compound 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-12 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 110.723, 110.723, 76.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.800 - 2.860 |
R-factor | 0.1889 |
Rwork | 0.185 |
R-free | 0.22650 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.080 |
Data reduction software | XDS (December 2004) |
Data scaling software | XSCALE (December 2003) |
Phasing software | CNS (CNX 2005) |
Refinement software | BUSTER-TNT (1.11.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.000 | 2.960 | |
High resolution limit [Å] | 2.860 | 13.910 | 2.860 |
Rmerge | 0.096 | 0.043 | 0.443 |
Rmeas | 0.100 | 0.046 | 0.460 |
Total number of observations | 157936 | ||
Number of reflections | 11498 | 125 | 1095 |
<I/σ(I)> | 21.05 | 45.24 | 6.29 |
Completeness [%] | 99.9 | 96.2 | 99.8 |
Redundancy | 13.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.7 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |