1B7D
NEUROTOXIN (TS1) FROM BRAZILIAN SCORPION TITYUS SERRULATUS
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | LNLS BEAMLINE D03B-MX1 |
Synchrotron site | LNLS |
Beamline | D03B-MX1 |
Temperature [K] | 295 |
Detector technology | IMAGE PLATE |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 22.210, 36.540, 31.720 |
Unit cell angles | 90.00, 100.76, 90.00 |
Refinement procedure
Resolution | 13.000 - 1.730 |
Rwork | 0.178 |
R-free | 0.23800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aho |
RMSD bond length | 0.012 |
RMSD bond angle | 1.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 13.000 | 1.770 |
High resolution limit [Å] | 1.730 | 1.730 |
Rmerge | 0.066 * | 0.260 * |
Total number of observations | 13402 * | |
Number of reflections | 5149 | |
<I/σ(I)> | 3 | |
Completeness [%] | 97.1 | 81.6 |
Redundancy | 2.6 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 6 | 0.01ml protein solution was mixed with 0.005ml reservoir * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | PEG6000 | 15 (%(w/v)) | |
3 | 1 | reservoir | potassium phosphate | 50 (mM) |