3PWS
Crystal Structure of Aspartate beta-Semialdehide Dehydrogenase from Streptococcus pneumoniae with 2',5'-Adenosine diphosphate and D-2-aminoadipate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-06-29 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 60.082, 99.404, 64.612 |
| Unit cell angles | 90.00, 101.14, 90.00 |
Refinement procedure
| Resolution | 36.730 - 2.000 |
| R-factor | 0.20535 |
| Rwork | 0.204 |
| R-free | 0.23145 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.006 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.730 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 40802 | |
| <I/σ(I)> | 12.3 | 5.7 |
| Completeness [%] | 82.0 | 64.8 |
| Redundancy | 2.1 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20% PEG 3350, 0.1M MES, 0.1 M ammonium acetate, 10 mM DTT , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
