3I83
Crystal structure of 2-dehydropantoate 2-reductase from Methylococcus capsulatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97958 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 75.851, 79.179, 100.626 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.194 |
| Rwork | 0.192 |
| R-free | 0.22700 |
| Structure solution method | SAD |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.523 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.605 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.098 | 0.475 |
| Number of reflections | 48181 | |
| <I/σ(I)> | 15.6 | 4.9 |
| Completeness [%] | 99.5 | 99.2 |
| Redundancy | 10.7 | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.7 | 294 | 100mM sodium acetate pH 4.7, 16% PEG 4K, 100mM ammonium acetate, vapor diffusion, temperature 294K |
