3RFX
Crystal structure of uronate dehydrogenase from Agrobacterium tumefaciens, Y136A mutant complexed with NAD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-01-01 |
| Detector | ADSC QUANTUM 315r |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 165.540, 165.540, 174.090 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.515 - 1.900 |
| R-factor | 0.1584 |
| Rwork | 0.157 |
| R-free | 0.18020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rft |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.052 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.950 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.382 | |
| Number of reflections | 107609 | |
| <I/σ(I)> | 6.1 | |
| Completeness [%] | 97.6 | 98.9 |
| Redundancy | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 1.8 M ammonium phosphate, Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
