2Q16
Structure of the E. coli inosine triphosphate pyrophosphatase RgdB in complex with ITP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 120.646, 120.646, 66.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.980 - 1.950 |
| R-factor | 0.17278 |
| Rwork | 0.171 |
| R-free | 0.20829 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.678 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 500.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.089 | 0.551 |
| Number of reflections | 36385 | |
| <I/σ(I)> | 39.9 | 5.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 19.4 | 17.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 25% PEG 4K, 200 mM Ammonium Sulfate, 100 mM Sodium Acetate, 2% iso-Propanol, 20 mM Calcium Chloride, 10mM ITP, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
