4H7N
The Structure of Putative Aldehyde Dehydrogenase PutA from Anabaena variabilis.
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97931, 0.97948 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.841, 88.513, 123.001 |
| Unit cell angles | 90.00, 109.97, 90.00 |
Refinement procedure
| Resolution | 41.330 - 2.000 |
| R-factor | 0.1579 |
| Rwork | 0.156 |
| R-free | 0.19570 |
| Structure solution method | MAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.659 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.102 | 0.075 | 0.642 |
| Number of reflections | 143525 | ||
| <I/σ(I)> | 6.8 | ||
| Completeness [%] | 99.9 | 97.9 | 100 |
| Redundancy | 7.5 | 7.1 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 297 | 24% PEG 1500, 20% Glycerol, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
