4ZVX
Structure of apo human ALDH7A1 in space group P4212
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-22 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97916 |
Spacegroup name | P 4 21 2 |
Unit cell lengths | 159.323, 159.323, 79.801 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.212 - 1.900 |
R-factor | 0.1703 |
Rwork | 0.169 |
R-free | 0.19490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2j6l |
RMSD bond length | 0.007 |
RMSD bond angle | 0.973 |
Data reduction software | XDS |
Data scaling software | Aimless (0.3.11) |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.020 | 46.020 | 1.930 |
High resolution limit [Å] | 1.900 | 9.860 | 1.900 |
Rmerge | 0.097 | 0.029 | 1.209 |
Rpim | 0.026 | 0.009 | 0.336 |
Total number of observations | 1175993 | 7586 | 56939 |
Number of reflections | 81138 | ||
<I/σ(I)> | 20.9 | 62.5 | 2.4 |
Completeness [%] | 99.8 | 98 | 96.5 |
Redundancy | 14.5 | 11.2 | 13.5 |
CC(1/2) | 0.999 | 0.999 | 0.743 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | The reservoir contained 0.1 M Hepes pH 7.5, 0.1 M magnesium chloride hexahydrate, and 20% (w/v) PEG 3350. |