4IDG
Crystal structure of a short-chain dehydrogenase/reductase superfamily protein from agrobacterium tumefaciens (TARGET EFI-506441) with bound NAD, monoclinic form 2
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 | 2012-12-08 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 77.388, 57.703, 95.418 |
Unit cell angles | 90.00, 108.68, 90.00 |
Refinement procedure
Resolution | 35.746 - 1.900 |
R-factor | 0.1787 |
Rwork | 0.177 |
R-free | 0.21560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4id9 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.048 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | AMoRE |
Refinement software | PHENIX (1.8.1_1168) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 90.391 | 90.391 | 2.000 |
High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
Rmerge | 0.024 | 0.582 | |
Total number of observations | 6278 | 28750 | |
Number of reflections | 61811 | ||
<I/σ(I)> | 12.3 | 26.2 | 1.4 |
Completeness [%] | 98.0 | 88 | 97.7 |
Redundancy | 3.5 | 3.4 | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | sitting drop vapor diffusion | 6.5 | 298 | Protein (10mM Tris pH 7.9, 5 mM NAD, 5 mM UDP-GAL; Reservoir (0.1 M Bis-Tris:HCl pH 6.5 20% (w/v) PEG MME 5000); Cryoprotection (Reservoir + 20% ethylene glycol, 5 mM NAD, 5 mM UDP-GAL), sitting drop vapor diffusion, temperature 298K |