5O7F
Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with GMP and Mn2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-03-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.2999 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.900, 105.620, 134.460 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.375 - 1.900 |
| R-factor | 0.1662 |
| Rwork | 0.165 |
| R-free | 0.20550 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.863 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmeas | 0.072 | 1.305 |
| Number of reflections | 120906 | 8954 |
| <I/σ(I)> | 17.4 | 1.89 |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.990 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 30% w/v PEG4000, 0.1M TRIS pH 8.5, 0.2M magnesium chloride |
