8DDA
Crystal structure of human aminoadipate semialdehyde synthase (AASS), lysine ketoglutarate reductase (LKR) domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.92819 |
Spacegroup name | P 1 |
Unit cell lengths | 79.045, 80.533, 91.508 |
Unit cell angles | 77.16, 67.64, 79.42 |
Refinement procedure
Resolution | 78.040 - 2.400 |
Rwork | 0.218 |
R-free | 0.25800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2q99 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.429 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 78.040 | 2.450 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.069 | 0.898 |
Rmeas | 0.098 | 1.269 |
Rpim | 0.069 | 0.898 |
Number of reflections | 71194 | 4508 |
<I/σ(I)> | 9 | 1.2 |
Completeness [%] | 90.0 | 91.9 |
Redundancy | 2.4 | 2.4 |
CC(1/2) | 0.553 | 0.553 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 20% PEG3350 -- 10% ethylene glycol -- 0.2M sodium malonate |