2ABR
Structure of D280A arginine deiminase with L-arginine forming a S-alkylthiouronium reaction intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-23 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 90.600, 120.600, 147.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| Rwork | 0.214 |
| R-free | 0.27400 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 2aaf |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.300 |
| Data reduction software | CrystalClear ((MSC/RIGAKU)) |
| Data scaling software | CrystalClear ((MSC/RIGAKU)) |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.103 | 0.263 |
| Number of reflections | 34967 | |
| Completeness [%] | 96.2 | 97.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 298 | 38% MPD (2-methyl-2,4-pentanediol), 6% PEG 3350, 0.1 M Tris-HCl, L-arginine 0.02 M, pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
