2OFP
Crystal structure of Escherichia coli ketopantoate reductase in a ternary complex with NADP+ and pantoate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-05-19 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.977 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 101.692, 101.692, 171.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.940 - 2.300 |
| R-factor | 0.1592 |
| Rwork | 0.156 |
| R-free | 0.21500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB entries 1KS9 and 1YJQ |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.448 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.073 | 0.425 |
| Number of reflections | 40629 | |
| <I/σ(I)> | 12.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 9.3 | 9.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 293 | 50mM HEPES-HCl, 35% v/v dioxane, 2 mM NADP+, 10 mM pantoate, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
