3GWY
Crystal structure of putative CTP pyrophosphohydrolase from Bacteroides fragilis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-19 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97929 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 62.138, 62.275, 59.777 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.21812 |
| Rwork | 0.216 |
| R-free | 0.27092 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.237 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXCD |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.089 | 0.890 |
| Number of reflections | 16236 | |
| <I/σ(I)> | 5.1 | 0.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.9 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5 | 294 | 100mM Bis-Tris pH 5.0, 27% PEG 3350, 200mM Ammonium acetate, 10% Glycerol, VAPOR DIFFUSION, temperature 294K |
