5O25
Structure of wildtype T.maritima PDE (TM1595) in ligand-free state
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-08-04 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 132.670, 54.930, 108.640 |
Unit cell angles | 90.00, 118.03, 90.00 |
Refinement procedure
Resolution | 19.311 - 1.750 |
R-factor | 0.1655 |
Rwork | 0.164 |
R-free | 0.19010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o1u |
RMSD bond length | 0.004 |
RMSD bond angle | 0.691 |
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] | 95.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.117 | 1.018 |
Number of reflections | 73632 | 5359 |
<I/σ(I)> | 13.34 | 2.01 |
Completeness [%] | 96.5 | 95.9 |
Redundancy | 6.9 | 6.8 |
CC(1/2) | 0.660 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 25% (w/v) PEG4000 0.1M Tris pH7.5 0.2M MgCl2 |