3RFV
Crystal structure of Uronate dehydrogenase from Agrobacterium tumefaciens complexed with NADH and product
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-10 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 62 2 2 |
Unit cell lengths | 165.390, 165.390, 173.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.758 - 2.100 |
R-factor | 0.159 |
Rwork | 0.157 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3rft |
RMSD bond length | 0.007 |
RMSD bond angle | 1.091 |
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] | 20.000 | 2.120 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.367 | |
Number of reflections | 81563 | |
<I/σ(I)> | 6.8 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 2.5 | 298 | 1.8 M ammonium phosphate, Tris-HCl, pH 2.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |