3C05
Crystal structure of Acostatin from Agkistrodon Contortrix Contortrix
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-10-19 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 37.449, 59.808, 121.307 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.670 - 1.700 |
R-factor | 0.188 |
Rwork | 0.186 |
R-free | 0.21500 |
Starting model (for MR) | 1j2l |
RMSD bond length | 0.013 |
RMSD bond angle | 1.329 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.044 | 0.156 |
Number of reflections | 30457 | |
<I/σ(I)> | 13.1 | 8.5 |
Completeness [%] | 98.8 | 90.9 |
Redundancy | 13.7 | 9.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8.5 | 1.8M AMMONIUM SULFATE, 0.1M TRIS-HCL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, pH 8.50 | ||
1 | 8.5 | 1.8M AMMONIUM SULFATE, 0.1M TRIS-HCL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, pH 8.50 | ||
1 | 8.5 | 1.8M AMMONIUM SULFATE, 0.1M TRIS-HCL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, pH 8.50 | ||
1 | 8.5 | 1.8M AMMONIUM SULFATE, 0.1M TRIS-HCL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K, pH 8.50 |