4WCA
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation H230Q, 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 | 2011-12-13 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.430, 47.640, 107.650 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.619 - 1.850 |
R-factor | 0.1653 |
Rwork | 0.163 |
R-free | 0.20790 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xmi |
RMSD bond length | 0.008 |
RMSD bond angle | 1.080 |
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 | 1.900 | |
High resolution limit [Å] | 1.850 | 8.270 | 1.850 |
Rmerge | 0.085 | 0.022 | 0.713 |
Rmeas | 0.092 | 0.024 | 0.821 |
Total number of observations | 118188 | ||
Number of reflections | 18374 | 225 | 1310 |
<I/σ(I)> | 15.6 | 44.87 | 1.83 |
Completeness [%] | 99.8 | 90.7 | 99.1 |
Redundancy | 6.4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Na-acetate, PEG 4000/6000 |