8HLF
Crystal structure of DddK-DMSOP complex
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 | 2019-03-29 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 36.807, 92.804, 38.808 |
Unit cell angles | 90.00, 117.76, 90.00 |
Refinement procedure
Resolution | 26.660 - 1.620 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6a53 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.911 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17.1-3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.660 | 1.678 |
High resolution limit [Å] | 1.620 | 1.620 |
Rmerge | 0.056 | 0.191 |
Rmeas | 0.067 | 0.227 |
Rpim | 0.036 | 0.121 |
Number of reflections | 28768 | 2802 |
<I/σ(I)> | 22.5 | 6.4 |
Completeness [%] | 98.3 | |
Redundancy | 3.4 | 3.4 |
CC(1/2) | 0.996 | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | SPG buffer, PEG 1500 |