1G9A
CRYSTAL STRUCTURE OF CLOSTRIDIUM BOTULINUM NEUROTOXIN B COMPLEXED WITH AN INHIBITOR (EXPERIMENT 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2000-09-26 |
Detector | BRANDEIS - B4 |
Wavelength(s) | 0.93 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.920, 123.240, 95.900 |
Unit cell angles | 90.00, 113.72, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
Rwork | 0.213 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1epw |
RMSD bond length | 0.007 |
RMSD bond angle | 1.380 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.060 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.063 | 0.420 |
Number of reflections | 95973 | |
Completeness [%] | 84.5 | 16.1 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | PEG 6000, MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 291.0K |