6O4F
Structure of ALDH7A1 mutant N167S complexed with alpha-aminoadipate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2018-03-19 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 154.680, 158.560, 156.830 |
Unit cell angles | 90.00, 95.96, 90.00 |
Refinement procedure
Resolution | 48.790 - 1.900 |
R-factor | 0.1756 |
Rwork | 0.173 |
R-free | 0.21780 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4zul |
Data reduction software | XDS |
Data scaling software | Aimless (0.6.2) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.790 | 48.790 | 1.930 |
High resolution limit [Å] | 1.900 | 10.410 | 1.900 |
Rmerge | 0.123 | 0.029 | 0.892 |
Rmeas | 0.130 | 0.030 | 0.977 |
Rpim | 0.042 | 0.009 | 0.390 |
Total number of observations | 2575937 | ||
Number of reflections | 284125 | 1818 | 10872 |
<I/σ(I)> | 15.3 | ||
Completeness [%] | 96.5 | 97.7 | 74.3 |
Redundancy | 9.1 | 11 | 5.8 |
CC(1/2) | 0.998 | 0.999 | 0.678 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 0.1 M MgCl2, 0.1 M sodium acetate trihydrate, 20% (w/v) PEG 4000, and 0.1 M Tris pH 6.7 |