1R1O
Amino Acid Sulfonamides as Transition-State Analogue Inhibitors of Arginase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2002-01-17 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.916 |
| Spacegroup name | P 32 |
| Unit cell lengths | 88.940, 88.940, 112.540 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 2.800 |
| R-factor | 0.251 |
| Rwork | 0.251 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 23.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.098 * | 0.287 * |
| Total number of observations | 204073 * | |
| Number of reflections | 23105 | |
| Completeness [%] | 92.4 | 82.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 4 * | PEG 8000, bicine, manganese chloride, SDC, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | arginase | 12-16 (mg/ml) | |
| 2 | 1 | drop | N,N-bis(2-hydroxyethyl)-glycine | 50 (mM) | pH8.5 |
| 3 | 1 | drop | 5 (mM) | ||
| 4 | 1 | drop | SEC | 5 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 20 (%) | |
| 6 | 1 | reservoir | Bicine | 50 (mM) | pH8.1 |
| 7 | 1 | reservoir | 5 (mM) |
