5X73
The crystal Structure PDE delta in complex with R-p9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | AREA DETECTOR |
Collection date | 2016-01-17 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97941 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 55.550, 55.550, 115.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.110 - 2.500 |
R-factor | 0.19829 |
Rwork | 0.195 |
R-free | 0.24528 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4jv6 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.715 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.072 | 0.350 |
Rpim | 0.028 | 0.130 |
Number of reflections | 7571 | 379 |
<I/σ(I)> | 23.75 | 7.81 |
Completeness [%] | 99.4 | 99.7 |
Redundancy | 8.2 | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 8% v/v Tacsimate, 20% w/v Polyethylene glycol 3350 |