3SR7
Crystal structure of S. mutans isopentenyl pyrophosphate isomerase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-06 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9761 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.690, 76.420, 92.530 |
| Unit cell angles | 90.00, 102.21, 90.00 |
Refinement procedure
| Resolution | 41.921 - 2.036 |
| R-factor | 0.2367 |
| Rwork | 0.235 |
| R-free | 0.28510 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.035 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHELXS |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.270 | 2.150 |
| High resolution limit [Å] | 2.036 | 2.040 |
| Rmerge | 0.073 | 0.560 |
| Number of reflections | 74368 | |
| <I/σ(I)> | 10.6 | 2.5 |
| Completeness [%] | 98.3 | 97.5 |
| Redundancy | 5 | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 5mM MgCl2, 5mM MnCl2, 5mM CaCl2, 0.1M Tris HCl pH 8.0, 5% (w/v) PEG 8000, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
