5O1U
Structure of wildtype T.maritima PDE (TM1595) with AMP and Mn2+
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 PILATUS 6M |
Wavelength(s) | 1.5498 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.310, 106.790, 134.120 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.113 - 1.900 |
R-factor | 0.1656 |
Rwork | 0.164 |
R-free | 0.20370 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.821 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELXDE |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.950 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.100 | 0.855 |
Number of reflections | 115147 | |
<I/σ(I)> | 14.35 | |
Completeness [%] | 95.2 | |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 293 | 0.1 M HEPES/NaOH 25% (w/v) PEG4000 0.2M CaCl2 1mM MnCl2 1mM AMP |