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 |
