1Y4L
Crystal structure of Bothrops asper myotoxin II complexed with the anti-trypanosomal drug suramin
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 | CCD |
| Collection date | 2003-04-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.427 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.199, 64.037, 85.990 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.700 |
| R-factor | 0.20734 |
| Rwork | 0.206 |
| R-free | 0.23955 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.663 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.740 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.049 | 0.507 |
| Number of reflections | 30385 | |
| Completeness [%] | 99.3 | 97.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | PEG 3350, isopropanol, sodium citrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
