5NAL
The crystal structure of inhibitor-15 covalently bound to PDE6D
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR571 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-08-11 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.57 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 56.070, 56.070, 115.080 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.030 - 2.200 |
R-factor | 0.1975 |
Rwork | 0.195 |
R-free | 0.24350 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3t5g |
RMSD bond length | 0.011 |
RMSD bond angle | 1.580 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.030 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.175 | 0.750 |
Number of reflections | 10469 | |
<I/σ(I)> | 8.5 | 2.8 |
Completeness [%] | 98.6 | 97.3 |
Redundancy | 5 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 2 M Na-formate, 0.1 M NaAcanh, pH 4.6 |