2NYN
Crystal structure of phenylalanine ammonia-lyase from Anabaena variabilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-12-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 78.193, 88.515, 90.058 |
Unit cell angles | 103.52, 97.82, 116.24 |
Refinement procedure
Resolution | 100.000 - 1.900 |
Rwork | 0.223 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w27 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.160 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 1.990 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.073 | 0.289 |
Number of reflections | 159839 | |
<I/σ(I)> | 7.94 | 3.2 |
Completeness [%] | 94.8 | 88.4 |
Redundancy | 2.15 | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M MOPSO, 7% (w/v) polyethylene glycol 8000, 0.2 M magnesium chloride, 10 mM cinnamic acid, 2 mM dithiothreitol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |