1P8R
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 | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-10-27 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.08 |
| Spacegroup name | P 3 |
| Unit cell lengths | 91.000, 91.000, 69.300 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 500.000 - 2.500 |
| R-factor | 0.144 |
| Rwork | 0.144 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hq5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 23.200 * |
| 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] | 500.000 | 2.660 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.099 | 0.328 |
| Number of reflections | 22138 * | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 4 * | HEPES-NaOH, isopropanol, PEG 4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 2 | 1 | reservoir | 2-propanol | 10 (%(v/v)) | |
| 3 | 1 | reservoir | PEG4000 | 20 (%(w/v)) | |
| 4 | 1 | drop | protein | 8-10 (mg/ml) | |
| 5 | 1 | drop | Bicine-NaOH | 50 (mM) | pH8.5 |
| 6 | 1 | drop | 100000 (nM) | ||
| 7 | 1 | drop | BEC | 2 (mM) |
