5L2N
Structure of ALDH1A1 in complex with BUC25
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-02 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 4 2 2 |
Unit cell lengths | 108.940, 108.940, 83.189 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.700 |
R-factor | 0.216 |
Rwork | 0.215 |
R-free | 0.24330 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.373 |
Data reduction software | HKL-3000 |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.700 | 4.610 | 1.700 |
Rmerge | 0.099 | 0.071 | 0.654 |
Rmeas | 0.108 | 0.077 | 0.716 |
Rpim | 0.041 | 0.029 | 0.284 |
Total number of observations | 350040 | ||
Number of reflections | 54840 | ||
<I/σ(I)> | 8.9 | ||
Completeness [%] | 98.9 | 94.7 | 100 |
Redundancy | 6.4 | 6.3 | 6.1 |
CC(1/2) | 0.992 | 0.637 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 300 | 100mM BisTris, 200 mM NaCl, 5 mM YbCl3, 9-11% PEG3350 |