4KWG
Crystal Structure Analysis of ALDH2+ALDiB13
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 | 101.506, 176.193, 101.546 |
| Unit cell angles | 90.00, 94.92, 90.00 |
Refinement procedure
| Resolution | 40.390 - 2.100 |
| R-factor | 0.1944 |
| Rwork | 0.193 |
| R-free | 0.22900 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.969 |
| 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 | 2.030 |
| High resolution limit [Å] | 2.000 | 5.430 | 2.000 |
| Rmerge | 0.058 | 0.031 | 0.157 |
| Number of reflections | 226469 | ||
| <I/σ(I)> | 16.1 | ||
| Completeness [%] | 94.5 | 98.6 | 85.9 |
| Redundancy | 3.5 | 3.8 | 3.3 |
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 |
