4HEV
Clostridium Botulinum Serotype A Light Chain Inhibited By Adamantane Hydroxamate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12B |
| Synchrotron site | NSLS |
| Beamline | X12B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-08-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9500 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.601, 67.632, 99.408 |
| Unit cell angles | 90.00, 106.13, 90.00 |
Refinement procedure
| Resolution | 40.469 - 2.500 |
| R-factor | 0.2044 |
| Rwork | 0.202 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bon |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.549 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8_1069)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.470 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.069 | 0.463 |
| Number of reflections | 31857 | |
| <I/σ(I)> | 19.1 | 3.2 |
| Completeness [%] | 97.7 | 92.7 |
| Redundancy | 3.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 10-12mg/ml enzyme in 50mM NaPO4, 2mM EDTA, pH 6.5; and 10-15% polyethylene glycol (PEG) 2,000 monomethyl ester, 0.2-0.3M K2HPO4, 0.1M D,L-malic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
