3GAZ
Crystal structure of an alcohol dehydrogenase superfamily protein from Novosphingobium aromaticivorans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-01-27 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.328, 80.694, 110.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.320 - 1.960 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.26100 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.870 | 1.870 |
| Rmerge | 0.083 | 0.311 |
| Number of reflections | 45614 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 96.0 | 80 |
| Redundancy | 11.8 | 11.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 298 | 0.2 M Calcium chloride dihydrate, 20% w/v PEG 3350, pH 5.1, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
