5AC2
human aldehyde dehydrogenase 1A1 with duocarmycin analog
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 4 2 2 |
Unit cell lengths | 109.123, 109.123, 83.175 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.800 - 1.850 |
R-factor | 0.20191 |
Rwork | 0.199 |
R-free | 0.25122 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4x4l |
RMSD bond length | 0.017 |
RMSD bond angle | 1.900 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.100 | 1.910 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.188 | 2.700 |
Number of reflections | 43648 | |
<I/σ(I)> | 17.78 | 1.2 |
Completeness [%] | 99.8 | 98.08 |
Redundancy | 26 | 26.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |