1P8M
Structural and Functional Importance of First-Shell Metal Ligands in the Binuclear Manganese Cluster of Arginase I.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-02-09 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.916 |
| Spacegroup name | P 32 |
| Unit cell lengths | 88.492, 88.492, 113.902 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 28.970 - 2.840 |
| R-factor | 0.286 |
| Rwork | 0.286 |
| R-free | 0.29810 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1rla |
| RMSD bond length | 0.015 * |
| RMSD bond angle | 24.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.900 |
| High resolution limit [Å] | 2.840 | 2.800 |
| Rmerge | 0.057 | 0.227 |
| Number of reflections | 23974 | |
| <I/σ(I)> | 28.9 | 6.9 |
| Completeness [%] | 97.4 | 98.2 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 4 * | PEG 8000, Bicine, Manganese Chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Bicine-NaOH | 50 (mM) | pH8.2-8.5 |
| 2 | 1 | reservoir | PEG8000 | 20-30 (%) | |
| 3 | 1 | reservoir | 2-5 (mM) | ||
| 4 | 1 | drop | arginase I variant | 10-16 (mg/ml) | |
| 5 | 1 | drop | Bicine-NaOH | 50 (mM) | pH8.5 |
| 6 | 1 | drop | 100000 (nM) |
