8EIP
Crystal structure of cyanophycin dipeptide hydrolase CphZ E251A from Acinetobacter baylyi DSM587 in complex with beta-Asp-Arg
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-06-24 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.9774 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 151.529, 126.648, 109.516 |
Unit cell angles | 90.00, 130.39, 90.00 |
Refinement procedure
Resolution | 49.040 - 2.240 |
R-factor | 0.2275 |
Rwork | 0.226 |
R-free | 0.25770 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model generated using Rosetta |
RMSD bond length | 0.012 |
RMSD bond angle | 1.583 |
Data reduction software | HKL-2000 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 85.600 | 2.490 |
High resolution limit [Å] | 2.240 | 2.400 |
Rmerge | 0.072 | 0.201 |
Number of reflections | 73553 | 6064 |
<I/σ(I)> | 6.68 | 0.3 |
Completeness [%] | 99.3 | |
Redundancy | 2.8 | |
CC(1/2) | 0.999 | 0.947 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.1 M bis-tris propane pH 7.5, 24% PEG3350, 0.2 M NaBr, 10 mM spermine and 10 mM LiCl |