1ZN3
Crystal structure of Glu335Ala mutant of Clostridium botulinum neurotoxin type E
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 | 2005-04-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.090, 144.720, 83.230 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.570 - 2.600 |
| Rwork | 0.220 |
| R-free | 0.25900 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1t3a |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.600 | 2.590 |
| Rmerge | 0.110 | 0.440 |
| Number of reflections | 34510 | |
| <I/σ(I)> | 9 | 3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | ammonium sulfate, lithium sulfate, sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
