3FPI
Crystal Structure of 2-C-Methyl-D-Erythritol 2,4-Cyclodiphosphate Synthase IspF complexed with Cytidine Triphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-02 |
Detector | SBC-3 |
Wavelength(s) | 0.9786 |
Spacegroup name | I 21 3 |
Unit cell lengths | 145.639, 145.639, 145.639 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.330 - 2.800 |
R-factor | 0.172 |
Rwork | 0.170 |
R-free | 0.19900 |
Structure solution method | SAD/MR |
Starting model (for MR) | 3f6m |
RMSD bond length | 0.017 |
RMSD bond angle | 1.745 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.5.0053) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.330 | 2.850 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.095 | 0.968 |
Number of reflections | 12751 | |
<I/σ(I)> | 2.1 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.4 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 1.0M Ammonium sulfate, 0.1M HEPES pH 7.0, 0.5 % w/v PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 291K |