5O70
Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with reaction products 2 AMP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P13 (MX1) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-01 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 1.1999 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.410, 87.590, 121.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.215 - 1.550 |
R-factor | 0.169 |
Rwork | 0.168 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o4z |
RMSD bond length | 0.006 |
RMSD bond angle | 0.849 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.590 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmeas | 0.045 | 1.210 |
Number of reflections | 106665 | 7778 |
<I/σ(I)> | 19.74 | 1.67 |
Completeness [%] | 99.5 | 98.3 |
Redundancy | 6.6 | 6.3 |
CC(1/2) | 1.000 | 0.760 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.2M ammonium sulfate, 0.1M sodium citrate |