4KPJ
Crystal Structure of Farnesyl Pyrophosphate Synthase (Y204A) Mutant complexed with Mg, Pamidronate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9796 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 111.310, 111.310, 66.600 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.840 - 1.950 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.21500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3cp6 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.880 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.0) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.650 | 55.650 | 2.060 |
High resolution limit [Å] | 1.950 | 2.060 | 1.950 |
Rmerge | 0.139 | 0.139 | 1.012 |
Number of reflections | 31105 | ||
<I/σ(I)> | 10.4 | 10.4 | 2 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 8.8 | 8.8 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.2M NH4Cl, 20% PEG6000, 10% Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |