4H5C
Crystal structure of human FPPS in ternary complex with YS0470 and inorganic phosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RUH3R |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-01-06 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 110.979, 110.979, 66.785 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.020 |
R-factor | 0.1816 |
Rwork | 0.180 |
R-free | 0.21317 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4dem |
RMSD bond length | 0.018 |
RMSD bond angle | 1.843 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.6.0117) |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.050 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.077 | 0.569 |
Number of reflections | 28025 | |
<I/σ(I)> | 36.9 | 5.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 26.4 | 24.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 295 | 30% PEG 300, 0.1M sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |