4LVU
Crystal Structure of a Putative Short Chain Dehydrogenase from Burkholderia thailandensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 71.460, 103.390, 71.290 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.400 - 1.250 |
| R-factor | 0.1181 |
| Rwork | 0.117 |
| R-free | 0.14100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4jro |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.357 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.280 | |
| High resolution limit [Å] | 1.250 | 5.590 | 1.250 |
| Rmerge | 0.050 | 0.026 | 0.456 |
| Number of reflections | 143334 | 1820 | 10078 |
| <I/σ(I)> | 26.37 | 79.36 | 4.07 |
| Completeness [%] | 98.0 | 98.9 | 94.6 |
| Redundancy | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | JCSG+(a5): 20% PEG3350, 200 mM magnesium formate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
