4DDH
Pantothenate synthetase in complex with 6-methoxy-1-benzofuran-3-yl acetic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.580, 70.930, 82.010 |
| Unit cell angles | 90.00, 99.40, 90.00 |
Refinement procedure
| Resolution | 53.380 - 2.070 |
| R-factor | 0.19022 |
| Rwork | 0.187 |
| R-free | 0.24987 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cov |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.996 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.380 | 2.180 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Rmerge | 0.123 | 0.499 |
| Number of reflections | 33607 | |
| <I/σ(I)> | 13.8 | 4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 12% PEG3000, 150 mM Li2SO4, 0.1 M imidazole, 2% ethanol, 10% glycerol, 20 mM MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
