1NUJ
THE LEADZYME STRUCTURE BOUND TO MG(H20)6(II) AT 1.8 A RESOLUTION
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-03-04 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 61 |
| Unit cell lengths | 60.100, 60.100, 133.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.000 * - 1.800 |
| R-factor | 0.203 |
| Rwork | 0.203 |
| R-free | 0.22400 |
| Structure solution method | EXPAND TO P6(1) |
| Starting model (for MR) | NDB ENTRY UR0001 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDISP/DENZO |
| Data scaling software | XDISP |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.040 * | 0.272 * |
| Total number of observations | 286623 * | |
| Number of reflections | 25179 * | |
| <I/σ(I)> | 21.3 | 4.6 |
| Completeness [%] | 95.2 | 87.4 |
| Redundancy | 3.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 20 * | MPD, Mg-Acetate, cacodylate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 20K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | MPD | ||
| 2 | 1 | 1 | Mg-Acetate | ||
| 3 | 1 | 1 | cacodylate | ||
| 4 | 1 | 2 | MPD |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 21-24 (%(v/v)) | ||
| 2 | 1 | reservoir | 20 (mM) | ||
| 3 | 1 | reservoir | spermine-HCl | 1 (mM) | |
| 4 | 1 | reservoir | sodium cacodylate | 50 (mM) | pH6.0 |
