5UCD
Benzaldehyde Dehydrogenase, a Class 3 Aldehyde Dehydrogenase, with bound NADP+ and Benzoate Adduct
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 | CCD |
| Collection date | 2006-11-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.03320 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 195.003, 195.003, 129.065 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.865 - 2.280 |
| R-factor | 0.192 |
| Rwork | 0.190 |
| R-free | 0.23390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3LV1 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.796 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.280 | 5.620 | 2.280 |
| Rmerge | 0.179 | 0.078 | |
| Rmeas | 0.185 | ||
| Rpim | 0.052 | ||
| Total number of observations | 804671 | ||
| Number of reflections | 56492 | ||
| <I/σ(I)> | 5.8 | ||
| Completeness [%] | 99.5 | 99.5 | 97.2 |
| Redundancy | 14.2 | 13.5 | 11.1 |
| CC(1/2) | 0.998 | 0.785 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 2.0 M Ammonium sulfate, 5% (v/v) isopropanol |
