6U2X
Structure of ALDH7A1 mutant E399G 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 | 2019-03-18 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 155.270, 161.650, 158.800 |
Unit cell angles | 90.00, 94.41, 90.00 |
Refinement procedure
Resolution | 49.159 - 2.150 |
R-factor | 0.177 |
Rwork | 0.174 |
R-free | 0.23250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zuk |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.3) |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260: ???) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.160 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.214 | 1.323 |
Rmeas | 0.226 | 1.419 |
Rpim | 0.072 | 0.508 |
Total number of observations | 2054217 | 79131 |
Number of reflections | 207132 | 10198 |
<I/σ(I)> | 9.1 | 1.5 |
Completeness [%] | 97.9 | 97.7 |
Redundancy | 9.9 | 7.8 |
CC(1/2) | 0.990 | 0.688 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293.15 | 25% PEG 3350, 0.2 M sodium chloride, 0.1 M Bis-Tris pH 6.5 |