3AO0
Crystal structure of ethanolamine ammonia-lyase from Escherichia coli complexed with CN-CBL and (S)-2-amino-1-propanol
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL44XU |
Synchrotron site | SPring-8 |
Beamline | BL44XU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-01 |
Detector | BRUCKER DIP-6040 |
Spacegroup name | P 63 |
Unit cell lengths | 243.850, 243.850, 76.806 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.000 - 2.250 |
R-factor | 0.236 |
Rwork | 0.235 |
R-free | 0.25700 |
Structure solution method | MR |
Starting model (for MR) | 3abr |
RMSD bond length | 0.012 |
RMSD bond angle | 0.830 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 2.310 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.099 | 0.481 |
Number of reflections | 121794 | |
<I/σ(I)> | 11.3 | 1.95 |
Completeness [%] | 98.5 | 93.3 |
Redundancy | 4.2 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | 6.0-7.0% (W/V) PEG 4000, 24-26 % (V/V) GLYCEROL, 1.0 % (V/V) 2-METHYL-2,4-PENTANEDIOL (MPD),0.1M IMIDAZOLE-HCL, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 277K |