1ZL6
Crystal structure of Tyr350Ala mutant of Clostridium botulinum neurotoxin E catalytic domain
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 | 2004-08-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.800, 144.958, 83.185 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.540 - 2.400 |
| Rwork | 0.235 |
| R-free | 0.28400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1t3a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data scaling software | HKL-2000 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 42956 | |
| <I/σ(I)> | 9 | 3 |
| Completeness [%] | 99.9 | 99.4 |
| Redundancy | 5.9 | 4.7 |
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 |
