4DCF
Structure of MTX-II from Bothrops brazili
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.458 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 59.400, 128.886, 67.008 |
| Unit cell angles | 90.00, 105.66, 90.00 |
Refinement procedure
| Resolution | 19.720 - 2.700 |
| R-factor | 0.2276 |
| Rwork | 0.223 |
| R-free | 0.31981 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2h8i |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.472 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.116 | 0.339 |
| Number of reflections | 12516 | |
| <I/σ(I)> | 2.68 | |
| Completeness [%] | 94.2 | 86.1 |
| Redundancy | 3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 291 | 0.1 M tris pH 8.2, 25% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
