1XX5
Crystal Structure of Natrin from Naja atra snake venom
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9363 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.676, 90.753, 91.554 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 2.400 |
Rwork | 0.206 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rc9 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.075 | 0.383 |
Number of reflections | 33482 | |
<I/σ(I)> | 47.1 | 9 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.7 | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.9 | 295 | NaCl, Tris-CL, EtOH, pH 8.9, VAPOR DIFFUSION, HANGING DROP, temperature 295K |