7UE3
PANK3 complex structure with compound PZ-3804
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 | 2017-08-20 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 98.198, 98.198, 69.169 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.140 - 1.560 |
R-factor | 0.1697 |
Rwork | 0.169 |
R-free | 0.19610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b3v |
RMSD bond length | 0.009 |
RMSD bond angle | 1.221 |
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 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Rmerge | 0.063 | 0.811 |
Number of reflections | 55022 | 3354 |
<I/σ(I)> | 34.9 | 2.3 |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.3 | 6.1 |
CC(1/2) | 0.999 | 0.805 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | PEG 4000, ammonium acetate, citrate |