6KVW
The complex structure of EanB/C339A/C370A and 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 | 87.823, 110.851, 120.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.250 |
R-factor | 0.2182 |
Rwork | 0.217 |
R-free | 0.23640 |
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 | 2.290 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.215 | |
Number of reflections | 56586 | 2756 |
<I/σ(I)> | 11.5 | |
Completeness [%] | 100.0 | |
Redundancy | 13.1 | |
CC(1/2) | 0.894 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M bicine/Trizma base pH 8.5, 0.03M of each halide, 10% PEG20k 20% PEG550 MME |