1T7B
Crystal structure of mutant Lys8Gln of scorpion alpha-like neurotoxin BmK M1 from Buthus martensii Karsch
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | SIEMENS |
Temperature [K] | 293 |
Detector technology | IMAGE PLATE |
Collection date | 2002-10-08 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 47.589, 44.056, 25.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.850 |
R-factor | 0.17 |
Rwork | 0.170 |
R-free | 0.19600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sn1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.920 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.083 | 0.283 |
Number of reflections | 4831 | |
<I/σ(I)> | 22 | 6 |
Completeness [%] | 97.6 | 93.8 |
Redundancy | 5.8 | 4.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | PEG8000, sodium cacodylate, ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |