7UE7
PANK3 complex structure with compound PZ-3883
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-11-14 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 98.213, 98.213, 69.240 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.150 - 1.550 |
R-factor | 0.1804 |
Rwork | 0.180 |
R-free | 0.19630 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6b3v |
RMSD bond length | 0.006 |
RMSD bond angle | 0.943 |
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 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.094 | 0.857 |
Number of reflections | 56098 | 3455 |
<I/σ(I)> | 28.1 | 1.2 |
Completeness [%] | 99.8 | 98.6 |
Redundancy | 8 | 5.2 |
CC(1/2) | 0.996 | 0.670 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 291 | PEG 4000, ammonium acetate, citrate |