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 |