3PLX
The crystal structure of aspartate alpha-decarboxylase from Campylobacter jejuni subsp. jejuni NCTC 11168
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-11-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97921 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 82.099, 82.099, 95.380 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.111 - 1.747 |
| R-factor | 0.1621 |
| Rwork | 0.161 |
| R-free | 0.18270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c45 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.022 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.000 | 1.780 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.083 | 0.634 |
| Number of reflections | 16734 | |
| <I/σ(I)> | 41.6 | 4.97 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 11.5 | 11.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2M Sodium Acetate, 0.1M HEPES:NaOH, 20% (W/V) PEG 3000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
