1ZL5
Crystal structure of Glu335Gln mutant of Clostridium botulinum neurotoxin E catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.950, 144.573, 83.429 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.550 - 2.600 |
| Rwork | 0.209 |
| R-free | 0.27100 |
| 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 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.120 | 0.440 |
| Number of reflections | 30978 | |
| <I/σ(I)> | 4.8 | 2 |
| Completeness [%] | 89.8 | 55.3 |
| Redundancy | 6.9 | 3.4 |
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 |
