2QQD
N47A mutant of Pyruvoyl-dependent Arginine Decarboxylase from Methanococcus jannashii
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-28 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9760 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.720, 92.249, 86.093 |
| Unit cell angles | 90.00, 94.89, 90.00 |
Refinement procedure
| Resolution | 46.130 - 2.000 |
| R-factor | 0.212 |
| Rwork | 0.212 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n13 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.130 | 2.130 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | |
| Number of reflections | 56234 | |
| <I/σ(I)> | 16.8 | |
| Completeness [%] | 92.6 | 83.3 |
| Redundancy | 4.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 17-20% PEG 2000, 10% MPD, 2.5% glycerol, 0.1 M HEPES, 0.005 M beta-octylglucoside, 0.005 M EDTA, 0.010 M DTT, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
