3I1J
Structure of a putative short chain dehydrogenase from Pseudomonas syringae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-10-21 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.253, 71.599, 131.086 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.460 - 1.900 |
R-factor | 0.16897 |
Rwork | 0.166 |
R-free | 0.22414 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | generated from Swiss-Modeller |
RMSD bond length | 0.014 |
RMSD bond angle | 1.501 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.460 | 1.910 |
High resolution limit [Å] | 1.840 | 1.840 |
Rmerge | 0.067 | 0.477 |
Number of reflections | 38997 | |
<I/σ(I)> | 25.8 | 4.8 |
Completeness [%] | 98.8 | 97.2 |
Redundancy | 6.4 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.2M Ammonium Acetate, 0.1M Bis-Tris pH5.5, 25%PEG3350. cryoprotected in 25% ethylene glycol , VAPOR DIFFUSION, SITTING DROP, temperature 294K |