3A5F
High-resolution structure of DHDPS from Clostridium botulinum in complex with pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2009-04-04 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.9536 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 143.358, 54.836, 94.304 |
| Unit cell angles | 90.00, 126.29, 90.00 |
Refinement procedure
| Resolution | 25.790 - 1.190 |
| R-factor | 0.1129 |
| Rwork | 0.112 |
| R-free | 0.13985 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3BI8 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.076 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.790 | 1.250 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.069 | 0.512 |
| Number of reflections | 188454 | |
| <I/σ(I)> | 13.6 | 2.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8 | 293 | 200mM NaCl, 20%(w/v) PEG 3350, pH 8, VAPOR DIFFUSION, temperature 293K |
