2I7P
Crystal structure of human PANK3 in complex with AcCoA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-25 |
Detector | SBC-3 |
Wavelength(s) | 0.9 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.734, 180.170, 77.728 |
Unit cell angles | 90.00, 95.68, 90.00 |
Refinement procedure
Resolution | 29.340 - 2.050 |
R-factor | 0.211 |
Rwork | 0.211 |
R-free | 0.25300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.061 | 0.446 |
Number of reflections | 96048 | |
<I/σ(I)> | 13.3 | 1.27 |
Completeness [%] | 98.8 | 90.5 |
Redundancy | 3.5 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 1M Tris, 50% PEG3350, 2M NH4Citrate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |