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 |