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) |