5O4Z
Structure of the inactive T.maritima PDE (TM1595) D80N D154N mutant with substrate 5'-pApA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-02 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9660 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 71.670, 87.830, 122.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.915 - 1.700 |
R-factor | 0.1741 |
Rwork | 0.173 |
R-free | 0.19620 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5o1u |
RMSD bond length | 0.006 |
RMSD bond angle | 0.763 |
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 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 42319 | 3050 |
<I/σ(I)> | 21.4 | 2.25 |
Completeness [%] | 98.8 | 97.8 |
Redundancy | 9.9 | 4.5 |
CC(1/2) | 0.990 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 2.2M Ammoniumsulfate 0.1 M Sodium citrate |