3RL4
Rat metallophosphodiesterase MPPED2 G252H Mutant
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 | 2009-01-22 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.99996 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 98.060, 69.385, 47.234 |
| Unit cell angles | 90.00, 102.96, 90.00 |
Refinement procedure
| Resolution | 19.680 - 1.290 |
| R-factor | 0.1675 |
| Rwork | 0.165 |
| R-free | 0.19050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.295 |
| 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 | 1.320 |
| High resolution limit [Å] | 1.290 | 3.181 | 1.290 |
| Rmerge | 0.106 | 0.084 | 0.378 |
| Number of reflections | 74944 | ||
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 97.1 | 98 | 89.7 |
| Redundancy | 4 | 3.9 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 293 | MnCl2, PEG 3350, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
