3L31
Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with the inhibitor, AMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-02 |
| Detector | ADSC Quantum Q315r |
| Wavelength(s) | 0.975501 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.960, 79.610, 116.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.21895 |
| Rwork | 0.216 |
| R-free | 0.27713 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.540 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | SHELX |
| Refinement software | REFMAC (5.4.0078) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.450 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.089 | 0.289 |
| Number of reflections | 24771 | 4182 |
| <I/σ(I)> | 16.41 | 5.3 |
| Completeness [%] | 99.0 | 98.7 |
| Redundancy | 7.3 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 15% PEG 4000, 100mM Tris/HCl pH 8.5, 20mM MgCl2, 0.15mM AMP, vapor diffusion, hanging drop, temperature 298K |
