6KTZ
The complex structure of EanB/C412S with hercynine
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 | 2018-12-08 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.240, 111.090, 60.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.100 - 2.000 |
R-factor | 0.1763 |
Rwork | 0.174 |
R-free | 0.21620 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.000 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.166 | |
Number of reflections | 40763 | 2946 |
<I/σ(I)> | 9.1 | |
Completeness [%] | 99.8 | |
Redundancy | 8.5 | |
CC(1/2) | 0.713 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M MES/imidazole pH7.5, 0.03M of each halide, 10%PEG20k, 20%PEG550MME |