4WBI
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutations H230Q and H309Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-2 |
Synchrotron site | MAX II |
Beamline | I911-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-05-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.04002 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.130, 47.030, 108.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.641 - 2.000 |
R-factor | 0.2021 |
Rwork | 0.201 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xmi |
RMSD bond length | 0.007 |
RMSD bond angle | 0.955 |
Data reduction software | XDS (December 29, 2011) |
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] | 30.000 | 2.050 | |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.073 | 0.032 | 0.810 |
Rmeas | 0.080 | 0.036 | 0.886 |
Total number of observations | 87766 | ||
Number of reflections | 14675 | 180 | 1066 |
<I/σ(I)> | 14.52 | 40.82 | 2.23 |
Completeness [%] | 99.0 | 90 | 98.2 |
Redundancy | 6 | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Na-Acetate, PEG 4000 / 6000 |