2QN0
Structure of Botulinum neurotoxin serotype C1 light chain protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-04-23 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 1.192 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 107.010, 107.010, 140.390 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.670 - 1.750 |
R-factor | 0.188 |
Rwork | 0.188 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fpq |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.810 |
High resolution limit [Å] | 1.750 | 1.750 |
Number of reflections | 86796 | |
<I/σ(I)> | 55 | 2.5 |
Completeness [%] | 92.4 | 55.6 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 1.6 M sodium formate and 0.1 M sodium citrate, pH 4.6-5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |