3IMF
1.99 Angstrom resolution crystal structure of a short chain dehydrogenase from Bacillus anthracis str. 'Ames Ancestor'
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.237, 89.560, 71.785 |
| Unit cell angles | 90.00, 111.60, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.990 |
| R-factor | 0.16815 |
| Rwork | 0.166 |
| R-free | 0.20643 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w8d |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.376 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.098 | 0.463 |
| Number of reflections | 136276 | |
| <I/σ(I)> | 12.79 | 3.38 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 20% MPD, 0.1M Mg Acetate, 50mM MES pH 5.6. For cryoprotection, 5% Glycerol, 5% Sucrose, 5% Ethylene glycol were used, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
