3F5S
CRYSTAL STRUCTURE OF putatitve short chain dehydrogenase from Shigella flexneri 2a str. 301
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-10-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.993, 67.414, 65.031 |
Unit cell angles | 90.00, 108.69, 90.00 |
Refinement procedure
Resolution | 7.990 - 1.360 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.20800 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.463 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | RESOLVE (2.13) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.390 |
High resolution limit [Å] | 1.340 | 2.890 | 1.340 |
Rmerge | 0.064 | 0.038 | 0.452 |
Number of reflections | 184342 | ||
<I/σ(I)> | 25.921 | ||
Completeness [%] | 94.3 | 94.7 | 77.7 |
Redundancy | 3.5 | 3.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG4000, 0.1M tris-hcl, 0.2 sodium acetate, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |