3FFZ
Domain organization in Clostridium butulinum neurotoxin type E is unique: Its implication in faster translocation
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 | 1999-10-10 |
Detector | BRANDEIS 4 |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.430, 172.570, 137.265 |
Unit cell angles | 90.00, 99.84, 90.00 |
Refinement procedure
Resolution | 29.490 - 2.650 |
R-factor | 0.253 |
Rwork | 0.253 |
R-free | 0.30900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB entries 1EPW 3bta |
RMSD bond length | 0.008 |
RMSD bond angle | 1.500 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rmerge | 0.106 | 0.278 |
Number of reflections | 98598 | |
<I/σ(I)> | 9 | 1.5 |
Completeness [%] | 89.5 | 48 |
Redundancy | 6.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG 8000, 0.1M NaCl, 0.1M Hepes, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |