2EJB
Crystal Structure Of Phenylacrylic Acid Decarboxylase from Aquifex aeolicus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2006-01-12 |
Detector | RIGAKU RAXIS IV |
Wavelength(s) | 1.5418 |
Spacegroup name | F 2 3 |
Unit cell lengths | 130.934, 130.934, 130.934 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.730 - 2.150 |
R-factor | 0.217 |
Rwork | 0.217 |
R-free | 0.25900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1sbz |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.730 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.048 | 0.309 |
Number of reflections | 9696 | |
<I/σ(I)> | 36.8 | 4.8 |
Completeness [%] | 94.9 | 95.4 |
Redundancy | 3.5 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | MICROBATCH | 4.5 | 295 | 10% PEG 6000, 2M NaCl, pH 4.5, microbatch, temperature 295K |