3L2B
Crystal structure of the CBS and DRTGG domains of the regulatory region of Clostridium perfringens pyrophosphatase complexed with activator, diadenosine tetraphosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-27 |
| Detector | ADSC Quantum Q315r |
| Wavelength(s) | 0.979260 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.847, 71.764, 116.334 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.270 |
| R-factor | 0.21123 |
| Rwork | 0.209 |
| R-free | 0.25875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l31 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.341 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0078) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.440 |
| High resolution limit [Å] | 2.270 | 2.310 |
| Rmerge | 0.053 | 0.374 |
| Number of reflections | 24554 | 3736 |
| <I/σ(I)> | 19.78 | 4.6 |
| Completeness [%] | 98.8 | 95.5 |
| Redundancy | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 25% PEG 4000, 100mM Tris/HCl pH 8.5, 200mM LiSO4, 0.25mM Ap4A, vapor diffusion, hanging drop, temperature 298K |
