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 |