4K06
Crystal structure of MTX-II from Bothrops brazili venom complexed with polyethylene glycol
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 | 2011-04-24 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.435 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.010, 71.414, 44.420 |
| Unit cell angles | 90.00, 102.50, 90.00 |
Refinement procedure
| Resolution | 19.017 - 2.080 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.23620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.861 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.080 |
| Rmerge | 0.129 |
| Number of reflections | 13752 |
| <I/σ(I)> | 5.29 |
| Completeness [%] | 96.1 |
| Redundancy | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 30% (w/v) PEG 8000, 0.25M Ammonium sulfate, 0.1M sodium cacodylate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
