4KWF
Crystal Structure Analysis of ALDH2+ALDiB33
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Detector technology | CCD |
| Collection date | 2012-11-17 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.293, 177.092, 102.551 |
| Unit cell angles | 90.00, 94.39, 90.00 |
Refinement procedure
| Resolution | 49.120 - 2.310 |
| R-factor | 0.2418 |
| Rwork | 0.239 |
| R-free | 0.29610 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.188 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.7.0029) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 6.240 | 2.300 |
| Rmerge | 0.081 | 0.032 | 0.519 |
| Number of reflections | 158074 | ||
| <I/σ(I)> | 12.2 | ||
| Completeness [%] | 98.9 | 93.1 | 97 |
| Redundancy | 3.1 | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 6.4 | 300 | 100 mM ACES, 100 mm guanidine-HCl, 10 mm MgCl2, and 14-19% PEG 6000, pH 6.4, sitting drop, temperature 300K |
