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 |