1T3C
Clostridium botulinum type E catalytic domain E212Q mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-02-15 |
| Detector | BRANDEIS - B4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 88.208, 144.297, 82.589 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.260 - 1.900 |
| R-factor | 0.245 |
| Rwork | 0.245 |
| R-free | 0.29500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t3a |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | MARMAD |
| 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 | 2.030 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.076 | 0.447 |
| Number of reflections | 74652 | |
| <I/σ(I)> | 10.3 | |
| Completeness [%] | 94.7 | |
| Redundancy | 5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 298 | Ammonium sulfate, sodium citrate, lithium sulfate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
