5DJR
Crystal structure of human FPPS in complex with biaryl compound 6
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-10-04 |
Detector | RIGAKU SATURN 92 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.320, 111.320, 77.310 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 24.090 - 2.400 |
R-factor | 0.2047 |
Rwork | 0.203 |
R-free | 0.23460 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.020 |
Data reduction software | XDS (September 26, 2012) |
Data scaling software | XSCALE (November 3, 2014) |
Phasing software | CNX (2005) |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.800 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.720 | 2.400 |
Rmerge | 0.105 | 0.036 | 1.284 |
Rmeas | 0.109 | 0.038 | 1.387 |
Total number of observations | 256333 | ||
Number of reflections | 19004 | 262 | 1297 |
<I/σ(I)> | 18.34 | 50.54 | 1.67 |
Completeness [%] | 96.6 | 96.3 | 90.6 |
Redundancy | 13.5 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.3 | 292 | 1.2M sodium potassium phosphate, 25% glycerol |