7BQJ
The structure of PdxI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-04-23 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97930 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 87.163, 87.163, 294.404 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.788 - 1.980 |
R-factor | 0.1841 |
Rwork | 0.183 |
R-free | 0.20890 |
Structure solution method | SAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.083 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX (1.12_2829) |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
High resolution limit [Å] | 1.980 | 5.370 | 1.980 |
Rmerge | 0.303 | 0.073 | 2.574 |
Rmeas | 0.312 | 0.075 | 2.673 |
Rpim | 0.074 | 0.018 | 0.712 |
Number of reflections | 80965 | 4459 | 3965 |
<I/σ(I)> | 3.8 | ||
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 17.7 | 16.9 | 13.9 |
CC(1/2) | 0.998 | 0.603 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 16% PEG 8000, 40mM potassium phosphate monobasic, 20% glycerol |