3DSL
The Three-dimensional Structure of Bothropasin, the Main Hemorrhagic Factor from Bothrops jararaca venom.
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 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.427000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.757, 100.271, 133.237 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.444 - 2.700 |
R-factor | 0.217 |
Rwork | 0.210 |
R-free | 0.29390 |
Structure solution method | SAD + MR |
RMSD bond length | 0.007 |
RMSD bond angle | 1.163 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.930 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.086 | 0.661 |
Number of reflections | 27681 | |
<I/σ(I)> | 4.2 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 40 mM ammonium acetate, 100 mM sodium acetate buffer, 29% PEG 4000 , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |