6YW9
Arabidopsis aspartate transcarbamoylase mutant F161A complex with PALA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-01-31 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97926 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 80.271, 98.283, 138.775 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.300 - 1.680 |
R-factor | 0.1525 |
Rwork | 0.151 |
R-free | 0.17440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ys6 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.125 |
Data reduction software | autoPROC |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.320 | 1.710 |
High resolution limit [Å] | 1.680 | 1.680 |
Rmerge | 0.053 | 0.840 |
Number of reflections | 125454 | 6151 |
<I/σ(I)> | 18.4 | 2 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.6 | 6.5 |
CC(1/2) | 0.999 | 0.701 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | Protein at 5 mg/ml in buffer 20 mM Tris pH 7.0, 0.1 M NaCl, 2% glycerol, 0.2 mM tris(2-carboxyethyl) phosphine (TCEP) and with 2 mM PALA. Crystallization solution: 25% PEG3350, 0.2 M Li2SO4 and 0.1 M bis-tris pH 5.5. Crystals were cryo-protected by soaking in a solution containing the mother liquor supplemented with 20% glycerol and the 2 mM PALA. |