5ML4
The crystal structure of PDE6D in complex to inhibitor-7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-03-06 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54179 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 55.950, 55.950, 115.300 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.980 - 2.400 |
R-factor | 0.1886 |
Rwork | 0.185 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t5g |
RMSD bond length | 0.013 |
RMSD bond angle | 1.466 |
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] | 27.980 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.161 | 0.850 |
Number of reflections | 8200 | |
<I/σ(I)> | 17.1 | 3.6 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 11 | 11.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 1.4 M NaOAc, 0.1 M NaCAC, pH 6.8 |