3H62
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with cantharidic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-2 |
Synchrotron site | ESRF |
Beamline | ID14-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-03-12 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93340 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 154.535, 41.518, 97.502 |
Unit cell angles | 90.00, 103.44, 90.00 |
Refinement procedure
Resolution | 36.080 - 1.400 |
R-factor | 0.17901 |
Rwork | 0.176 |
R-free | 0.20392 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s95 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.308 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0089) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.470 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmerge | 0.078 | 0.347 |
Number of reflections | 113739 | |
<I/σ(I)> | 60.1 | 13.5 |
Completeness [%] | 100.0 | 100 |
Redundancy | 4.6 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 289 | 10mM Tris-HCl, 40% MPD, 20% PEG MME 5000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |