1YON
Escherichia coli ketopantoate reductase in complex with 2-monophosphoadenosine-5'-diphosphate
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 | 2004-02-16 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.939 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.318, 65.833, 98.207 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.950 |
| R-factor | 0.16815 |
| Rwork | 0.166 |
| R-free | 0.20986 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ks9 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.753 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.115 | 0.476 |
| Number of reflections | 28985 | |
| <I/σ(I)> | 23.2 | 2.6 |
| Completeness [%] | 99.2 | 92.7 |
| Redundancy | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 290 | 10% 2-methyl-2,4-pentanediol, 0.1M sodium acetate, 2mM NADPH, 2mM pantoate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
