7WVG
Crystal structure of H18 complexed with SIA28
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL02U1 |
Synchrotron site | SSRF |
Beamline | BL02U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-28 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.978 |
Spacegroup name | P 63 |
Unit cell lengths | 140.427, 140.427, 195.734 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.970 - 2.600 |
R-factor | 0.2126 |
Rwork | 0.212 |
R-free | 0.22390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eyj |
RMSD bond length | 0.005 |
RMSD bond angle | 0.840 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Number of reflections | 66862 | 6653 |
<I/σ(I)> | 19.8 | |
Completeness [%] | 99.9 | |
Redundancy | 16.5 | |
CC(1/2) | 0.999 | 0.586 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M Bis Tris 25 % w/v PEG 3350(pH 5.5) |