4WBL
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation F235A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-05-19 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 1.223 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.220, 47.770, 54.090 |
Unit cell angles | 90.00, 94.73, 90.00 |
Refinement procedure
Resolution | 27.437 - 2.501 |
R-factor | 0.1983 |
Rwork | 0.195 |
R-free | 0.26490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xmi |
RMSD bond length | 0.002 |
RMSD bond angle | 0.606 |
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] | 30.000 | 2.570 | |
High resolution limit [Å] | 2.500 | 11.190 | 2.500 |
Rmerge | 0.152 | 0.064 | 0.769 |
Rmeas | 0.178 | 0.079 | 0.904 |
Total number of observations | 25813 | ||
Number of reflections | 7167 | 84 | 515 |
<I/σ(I)> | 6.85 | 15.31 | 1.85 |
Completeness [%] | 99.7 | 90.3 | 100 |
Redundancy | 3.6 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | Na-acetate, PEG 4000/6000 |