3T4X
Short chain dehydrogenase/reductase family oxidoreductase from Bacillus anthracis str. Ames Ancestor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-07-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.06885 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 144.979, 144.979, 65.694 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.800 |
| R-factor | 0.20331 |
| Rwork | 0.200 |
| R-free | 0.26278 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.952 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.093 | 0.750 |
| Number of reflections | 17682 | |
| <I/σ(I)> | 19.04 | 2.9 |
| Completeness [%] | 98.6 | 89.8 |
| Redundancy | 10.7 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Tacsimate 60%,NaCl 0.2M, CaAcetate 5mM, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
