5V18
Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-02-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97 |
Spacegroup name | P 41 |
Unit cell lengths | 72.528, 72.528, 45.642 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.640 - 2.150 |
R-factor | 0.1926 |
Rwork | 0.191 |
R-free | 0.23500 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.231 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.046 | 0.034 | 0.617 |
Total number of observations | 50034 | ||
Number of reflections | 12901 | ||
<I/σ(I)> | 18.6 | ||
Completeness [%] | 98.1 | 91.4 | 86.6 |
Redundancy | 3.9 | 3.8 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 25% PEG 335, 200 mM ASO4, 100 mM Bis-Tris pH 6.5 |