1NPI
Tityus Serrulatus Neurotoxin (Ts1) at atomic resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-08-01 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.28, 1.38 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 23.250, 36.610, 31.100 |
| Unit cell angles | 90.00, 105.58, 90.00 |
Refinement procedure
| Resolution | 12.500 - 1.160 |
| R-factor | 0.0878 |
| Rwork | 0.082 |
| R-free | 0.15870 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1b7d |
| RMSD bond length | 0.000 |
| RMSD bond angle | 0.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 12.000 * | 1.190 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.078 * | |
| Total number of observations | 16095 * | |
| Number of reflections | 11943 | |
| <I/σ(I)> | 12 | |
| Completeness [%] | 92.0 | 52 |
| Redundancy | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | Golubev, A.M., (1998) Acta Crystallogr., Sect.D, 54, 1440. * |
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) |
