2H8U
Bucain, a cardiotoxin from the Malayan Krait Bungarus candidus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-07-03 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.51 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 32.617, 62.888, 78.487 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 17.200 - 2.100 |
| R-factor | 0.20668 |
| Rwork | 0.204 |
| R-free | 0.26575 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.021 |
| RMSD bond angle | 2.007 |
| Data reduction software | DENZO |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.200 | 2.160 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 7426 | |
| Completeness [%] | 74.9 | 72.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 293 | peg 4000, ammonium acetate, pH 5.6, temperature 293K |
