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 |