3CP6
Crystal structure of human farnesyl diphosphate synthase (T201A mutant) complexed with Mg and biphosphonate inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97900 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 112.531, 112.531, 62.919 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.460 - 1.950 |
R-factor | 0.19725 |
Rwork | 0.195 |
R-free | 0.24321 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2qis |
RMSD bond length | 0.014 |
RMSD bond angle | 1.404 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0066) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.260 | 2.060 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.114 | 0.612 |
Number of reflections | 28451 | |
<I/σ(I)> | 9.7 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M NH4Cl, 20% PEG 6000, 10% Ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |