4WDD
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation T232A, complexed with citrate
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 | 2011-12-07 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.230, 46.030, 106.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.856 - 2.101 |
R-factor | 0.2155 |
Rwork | 0.213 |
R-free | 0.27100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xmi |
RMSD bond length | 0.003 |
RMSD bond angle | 0.641 |
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 | 2.160 | |
High resolution limit [Å] | 2.100 | 9.400 | 2.100 |
Rmerge | 0.140 | 0.031 | 0.919 |
Rmeas | 0.155 | 0.035 | 1.015 |
Total number of observations | 71976 | ||
Number of reflections | 12659 | 157 | 919 |
<I/σ(I)> | 9.77 | 33.36 | 1.77 |
Completeness [%] | 99.7 | 87.7 | 100 |
Redundancy | 5.7 | 5.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Na-citrate, PEG 4000 / 6000 |