Published February 26, 2020
| Version 2
Dataset
Open
Paired refinement under control of PAIREF - examples
- 1. Czech Technical University in Prague, Faculty of Nuclear Sciences and Physical Engineering
- 2. University of Konstanz
- 3. Institute of Biotechnology of the Czech Academy of Sciences
Description
This archive contains example runs of PAIREF - a tool for macromolecular crystallographers performing the paired refinement protocol.
Program website: https://pairef.fjfi.cvut.cz/
Results of six data sets presented in the paper "Paired refinement under control of PAIREF" by M. Maly, K. Diederichs, J. Dohnalek, P. Kolenko (2020) are included.
- simulated data for lysozyme from Gallus gallus (SIM)
- measured data for thermolysin from Bacillus thermoproteolyticus (TL)
- measured data for cysteine-bound complex of cysteine dioxygenase from Rattus norvegicus (CDO)
- measured data for endothiapepsin from Cryphonectria parasitica in complex with fragment B53 (EP)
- measured data for interferon gamma from Paralichthys olivaceus (POLI)
- measured data for bilirubin oxidase from Myrothecium verrucaria (BO)
Notes
2nd version - CCwork and CCfree values were calculated using SFTOOLS.
Files
PAIREF_examples.zip
Files
(2.1 GB)
| Name | Size | Download all |
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md5:a1cdc6b4244bbe33d73fd172b9dd8c69
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Additional details
References
- Martin Malý et al. (2020) IUCrJ. Paired refinement under the control of PAIREF.