3RL3
Rat metallophosphodiesterase MPPED2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-10-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97626 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 97.887, 69.752, 46.984 |
| Unit cell angles | 90.00, 103.14, 90.00 |
Refinement procedure
| Resolution | 47.670 - 1.420 |
| R-factor | 0.1627 |
| Rwork | 0.160 |
| R-free | 0.18710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.327 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.450 |
| High resolution limit [Å] | 1.420 | 3.500 | 1.420 |
| Rmerge | 0.080 | 0.066 | 0.491 |
| Number of reflections | 57595 | ||
| <I/σ(I)> | 11.2 | ||
| Completeness [%] | 99.0 | 99.9 | 97.3 |
| Redundancy | 4 | 4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 298 | MnCl2, PEG 3350, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
