6KTW
structure of EanB 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 | 2018-05-24 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9786 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 88.456, 112.038, 60.562 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.139 - 1.931 |
R-factor | 0.1555 |
Rwork | 0.153 |
R-free | 0.19270 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ktx |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.12) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 1.940 |
Number of reflections | 45192 | 2205 |
<I/σ(I)> | 11.3 | |
Completeness [%] | 99.8 | |
Redundancy | 10.3 | |
CC(1/2) | 0.866 | 0.278 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M MES/imidazole pH6.5, 0.02M of each alcohol, 10%PEG20k, 20%PEG550MME |