4WDE
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T311A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-12-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.370, 46.440, 107.460 |
Unit cell angles | 90.00, 93.93, 90.00 |
Refinement procedure
Resolution | 19.673 - 2.400 |
R-factor | 0.2537 |
Rwork | 0.249 |
R-free | 0.29900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xmi |
RMSD bond length | 0.002 |
RMSD bond angle | 0.628 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.460 | |
High resolution limit [Å] | 2.400 | 10.730 | 2.400 |
Rmerge | 0.185 | 0.039 | 0.937 |
Rmeas | 0.217 | 0.046 | 1.145 |
Total number of observations | 59872 | ||
Number of reflections | 16418 | 168 | 1101 |
<I/σ(I)> | 6.99 | 22.69 | 1.29 |
Completeness [%] | 98.8 | 81.6 | 89.6 |
Redundancy | 3.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Na-citrate, PEG 4000 / 6000 |