6V0Z
Structure of ALDH7A1 mutant R441C 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 | 2019-10-22 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.00003 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 154.964, 161.647, 158.542 |
Unit cell angles | 90.00, 94.45, 90.00 |
Refinement procedure
Resolution | 48.073 - 2.020 |
R-factor | 0.1964 |
Rwork | 0.194 |
R-free | 0.24880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zuk |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.4) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14-3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.073 | 2.050 |
High resolution limit [Å] | 2.020 | 2.020 |
Rmerge | 0.176 | 1.646 |
Rmeas | 0.207 | 1.973 |
Rpim | 0.108 | 1.077 |
Total number of observations | 41141 | |
Number of reflections | 252123 | 12517 |
<I/σ(I)> | 6.5 | 0.7 |
Completeness [%] | 99.3 | 99.6 |
Redundancy | 3.6 | 3.3 |
CC(1/2) | 0.987 | 0.345 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 21% PEG 3350, 0.2 M magnesium chloride, Bis-Tris pH 6.2 |