1ZU3
Crystal Structure Of Mutant K8A Of Scorpion alpha-Like Neurotoxin Bmk M1 From Buthus Martensii Karsch
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2003-01-12 |
Detector | BRUKER SMART 2000 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 47.237, 43.069, 25.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.800 - 1.330 |
R-factor | 0.172 |
Rwork | 0.172 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1SN1.pdb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.700 |
Data reduction software | PROTEUM PLUS (R) |
Data scaling software | PROTEUM PLUS (R) |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.830 | 1.410 |
High resolution limit [Å] | 1.330 | 1.330 |
Rmerge | 0.042 | 0.116 |
Number of reflections | 9950 | |
<I/σ(I)> | 12.3 | 3.5 |
Completeness [%] | 77.0 | 41.3 |
Redundancy | 2.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% (w/v) PEG8000, 0.1M sodium cacodylate pH 6.5, 0.2M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |