6O4C
Structure of ALDH7A1 mutant W175A complexed with NAD
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 | 2016-04-27 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 156.060, 162.330, 159.630 |
Unit cell angles | 90.00, 94.40, 90.00 |
Refinement procedure
Resolution | 53.909 - 1.700 |
R-factor | 0.1485 |
Rwork | 0.147 |
R-free | 0.17470 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 4zuk |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.23) |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.910 | 53.910 | 1.730 |
High resolution limit [Å] | 1.700 | 9.310 | 1.700 |
Rmerge | 0.077 | 0.036 | 0.298 |
Rmeas | 0.085 | 0.039 | 0.367 |
Rpim | 0.034 | 0.015 | 0.211 |
Total number of observations | 1994816 | ||
Number of reflections | 429401 | 2695 | 19171 |
<I/σ(I)> | 13.4 | ||
Completeness [%] | 99.2 | 98.9 | 89.4 |
Redundancy | 4.6 | 6.4 | 2.8 |
CC(1/2) | 0.998 | 0.999 | 0.855 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M MgCl2, 0.1 M sodium acetate trihydrate, 20% (w/v) PEG 4000, and 0.1 M Tris pH 7.5 |