6X4K
PANK3 complex structure with compound PZ-2890
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-29 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 98.485, 98.485, 69.016 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 36.280 - 2.100 |
R-factor | 0.1746 |
Rwork | 0.173 |
R-free | 0.20610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5kpr |
RMSD bond length | 0.007 |
RMSD bond angle | 0.922 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.102 | 0.851 |
Number of reflections | 22980 | 1644 |
<I/σ(I)> | 21.8 | 2.3 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.2 | |
CC(1/2) | 0.997 | 0.752 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291.15 | PEG 4000, ammonium acetate, citrate |