6KVY
The structure of EanB/T414A complex with hercynine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-13 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 87.876, 111.072, 60.378 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.000 - 1.780 |
R-factor | 0.1588 |
Rwork | 0.158 |
R-free | 0.18270 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.810 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.106 | |
Number of reflections | 57234 | 2804 |
<I/σ(I)> | 24.5 | |
Completeness [%] | 100.0 | |
Redundancy | 13.1 | |
CC(1/2) | 0.886 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MOPS/HEPES-Na pH 7.5, 0.02M of each monosacharide, 10% PEG20k, 20% PEG550 MME |