3RL5
Rat metallophosphodiesterase MPPED2 H67R 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 | 98.622, 69.848, 47.182 |
| Unit cell angles | 90.00, 103.52, 90.00 |
Refinement procedure
| Resolution | 20.750 - 1.260 |
| R-factor | 0.1542 |
| Rwork | 0.152 |
| R-free | 0.17440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.323 |
| 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 | 1.290 |
| High resolution limit [Å] | 1.260 | 3.110 | 1.260 |
| Rmerge | 0.059 | 0.065 | 0.251 |
| Number of reflections | 83943 | ||
| <I/σ(I)> | 16.9 | ||
| Completeness [%] | 99.9 | 99.3 | 99.2 |
| Redundancy | 4.1 | 4.2 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | Ammonium nitrate, PEG 3350, CaCl2, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
