5ML2
The crystal structure of PDE6D in complex with inhibitor-3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-09-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97889 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 55.650, 55.650, 115.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.830 - 1.600 |
R-factor | 0.2035 |
Rwork | 0.202 |
R-free | 0.22740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t5g |
RMSD bond length | 0.011 |
RMSD bond angle | 1.554 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.830 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.063 | 0.440 |
Number of reflections | 26598 | |
<I/σ(I)> | 28.8 | 7.5 |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 19.1 | 19.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 30 % PEG 4000, 0.2 M NaOAc, 0.1 M TRIS-HCL, pH 8.5 |