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 |